Molecule FYI-1000999

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Molecule Summary:

ID: FYI-1000999
SMILES: Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)on2

Received at FYIcenter.com on: 2021-09-22

Molecule ID: FYI-1000999 Edit

Molecule Structure SMILES String: Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)on2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000999
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.0000   -3.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    1.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    2.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    3.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085    1.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784    1.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0598    2.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080    3.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000999-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.2643    0.4405   -0.1966 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8855    0.2070   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.1539    1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    0.0674    1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137    0.0856   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    0.1644   -1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200    0.2569   -1.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909    0.0006    0.0484 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1719   -0.5416   -1.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0389   -0.6114    1.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1459    1.6281    0.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7873    2.4764   -0.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4364    2.6286   -2.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172    3.6140   -2.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8213    4.3064   -4.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010    4.0160   -1.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7733    3.3315   -0.7387 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775    0.0888    0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    0.1738   -1.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010    0.1828    2.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6524    0.0034    2.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439    0.1853   -2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061    0.3744   -2.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8358    1.9774    1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163    2.1193   -2.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7723    4.0830   -4.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0082    3.9999   -4.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7598    5.3907   -3.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  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 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-02, 3160👍, 0💬