Molecule FYI-1002891

A

Molecule Summary:

ID: FYI-1002891
Names:
InChIKey: KZUKWKADTYXYMJ-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2cc(C(=O)NCCO)c(S(=O)(=O)Cc1ccccc1)cc2Cl

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002891 Edit

Molecule Structure InChIKey: KZUKWKADTYXYMJ-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2cc(C(=O)NCCO)c(S(=O)(=O)Cc1ccccc1)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002891
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    0.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 16 17  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002891-3D
FYIcenter.com

 44 45  0     0  0  0  0  0  0999 V2000
   -3.3962   -3.2546    0.9298 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2295   -0.5174    0.6991 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9395   -0.8036   -0.5077 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6338    0.8776    0.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985   -1.4217    1.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4886    1.6376   -1.4741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2037    0.1073   -1.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3446   -2.1971   -0.6018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    4.5633    1.8914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    2.8883   -0.0758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5795   -0.1379    0.9285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4871   -0.5850    0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899   -1.1914   -0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1467    0.4770   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.7310    0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236   -0.7532   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147    0.3927   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730   -1.1702   -0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641   -1.8152    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    1.6894   -0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690   -2.0869    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2580   -0.2336   -1.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913    4.1752   -0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -2.0672    0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6394   -0.2139   -1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2355   -1.1309   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    4.5022    0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6329   -2.2169   -0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.6001   -1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6887   -2.5675    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193    1.2275   -0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4776   -2.8378    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063    0.4877   -1.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332    2.8633    0.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934    4.9124   -0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    4.1803   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9151   -2.7841    1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2508    0.5154   -1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3111   -1.1163   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9830    0.8055    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0780   -0.7700    1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905    5.4741    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.7407    0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370    4.7790    2.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  6 20  2  0  0  0  0
  9 27  1  0  0  0  0
  9 44  1  0  0  0  0
 10 20  1  0  0  0  0
 10 23  1  0  0  0  0
 10 34  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 18  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 20  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 32  1  0  0  0  0
 22 25  2  0  0  0  0
 22 33  1  0  0  0  0
 23 27  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 26  2  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 1469👍, 0💬