Molecule FYI-1002822

A

Molecule Summary:

ID: FYI-1002822
Names:
InChIKey: KCHKZYKQHJUTFV-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3cc(C(=O)N1CCOCC1)c(Sc2ccccc2)cc3Cl

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002822 Edit

Molecule Structure InChIKey: KCHKZYKQHJUTFV-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc(C(=O)N1CCOCC1)c(Sc2ccccc2)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002822
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.6996    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    5.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 18  2  0  0  0  0
 24 16  2  0  0  0  0
 25 24  1  0  0  0  0
 25  5  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002822-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    1.4224   -3.5139   -1.7405 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0408   -4.1064    0.2690 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835    1.7928   -0.8172 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288    3.3035   -1.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338    1.2721    2.1835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4271   -4.0167    0.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822   -4.9486   -0.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    1.5454    0.4537 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -4.5350    1.6073 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2146    2.6160    1.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    1.1325   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4632    3.7726    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229    2.3524   -1.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754    0.9643    1.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6698   -0.1140    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940    0.1340   -0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977   -1.4227    0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615   -2.4838   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -0.9270   -1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024   -2.2359   -0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762    1.6674   -0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536    1.3300    1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212    1.9072   -1.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    1.2324    1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0439    1.8095   -0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3213    1.4720    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790    2.9627    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1679    2.1822    1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.4243   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9985    0.6256   -0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1046    4.5221    0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5258    4.2642   -0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3874    2.8321   -2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8631    2.0548   -2.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9225   -1.6012    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553   -0.7439   -1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5267   -4.6000    2.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654   -5.2357    1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    1.1449    1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5243    2.1707   -2.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.9710    2.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    1.9960   -1.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    1.3961    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 16  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1854👍, 0💬