Molecule FYI-1003014

A

Molecule Summary:

ID: FYI-1003014
Names:
InChIKey: FKSLFKTUGSMQII-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(Sc1ccccc1C(=O)O)c(F)c2NC3CCCCCCCCCCC3

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003014 Edit

Molecule Structure InChIKey: FKSLFKTUGSMQII-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(Sc1ccccc1C(=O)O)c(F)c2NC3CCCCCCCCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003014
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    6.2547    9.8077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8683   10.0096    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795    8.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    7.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    8.4066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    7.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3070    5.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577    6.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    7.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    8.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837    9.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402   10.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    9.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134   10.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8982    6.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509    5.3506    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    4.2033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    3.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    3.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    2.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    5.6044    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    7.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    8.4066    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536   11.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    9.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17  6  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 31 20  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  2  0  0  0  0
 33  3  1  0  0  0  0
 34 33  1  0  0  0  0
 35  2  1  0  0  0  0
 36  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003014-3D
FYIcenter.com

 67 69  0  0  0  0  0  0  0  0999 V2000
    4.4451   -1.1323    3.2280 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9116    0.2258    2.3955 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844    1.2854    3.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    0.0486    1.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    0.2523    2.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885   -0.9209    2.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -2.0643    3.0011 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088   -0.9576    2.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -2.1427    3.0626 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    0.1593    2.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322   -0.1230    2.2243 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822    1.3351    2.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7505    1.4873    3.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6404    2.4894    4.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1697    3.3753    3.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8346    3.2346    2.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9741    2.2040    1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8394    2.0913    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8216    3.0689   -0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8988    0.8314   -0.2686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048    1.3563    2.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7403    2.4624    2.1575 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4058    1.4324    2.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    2.5743    1.5922 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5955    3.9707    1.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098    4.6408    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    3.9616   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236    2.7889   -1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281    3.2414   -2.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    2.2836   -2.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0885    1.9289   -1.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2147    2.9788   -1.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990    2.9231   -0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8670    3.5460    0.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    4.8416    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8692    4.8464    2.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0061   -0.8310    4.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9548   -1.7533    2.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890    0.7887    4.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9388    2.5630    5.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8622    4.1545    3.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2832    3.9106    1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9430    0.1423    0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    2.4241    0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773    4.0489    2.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5008    5.0209   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3746    5.5523    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    4.7186   -0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1417    3.6735    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9039    2.3100   -1.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    2.0213   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    4.2492   -2.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065    3.3260   -3.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    2.6939   -3.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    1.3455   -3.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5535    1.0214   -2.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6826    1.6105   -0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    3.9921   -1.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    2.7909   -2.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109    3.4390   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5203    1.8869   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8281    3.7257    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4090    2.8021    1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7433    5.1770    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    5.6190    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    5.8927    2.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    4.5880    3.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 36  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 33  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 35  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 36  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 2054👍, 0💬