Molecule FYI-1003244

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A

Molecule Summary:

ID: FYI-1003244
Names:
InChIKey: TYBWNOXLIDGMGO-UHFFFAOYSA-N
SMILES: Cc1ccccc1S(=O)(=O)c2ccc(N)cc2

Received at FYIcenter.com on: 2023-05-27

Molecule ID: FYI-1003244 Edit

Molecule Structure InChIKey: TYBWNOXLIDGMGO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1S(=O)(=O)c2ccc(N)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003244
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    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
    1.2123    9.8000    0.0000 N   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
  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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 13 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003244-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    0.3604   -0.8342   -1.1928 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363   -2.2621   -0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -0.3533   -2.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8194    0.9180    1.1435 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.0225   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825   -0.3122   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362   -0.5870    0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1011    1.2114   -0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165    0.7972   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -1.0254    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655    0.0823    1.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805   -1.9061    1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1305    1.8805   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0313    1.2086   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341   -0.6141    1.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7126    1.3160    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902    0.5030    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6594    1.6790   -1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933    1.3627   -1.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2571   -1.9177    0.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.3420    2.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204   -1.9167    1.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -2.7295    0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786   -2.1189    2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773    2.8422   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5322    2.0815   -0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3639   -1.1769    1.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5138    1.8374    1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2239    0.4077    1.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2947    1.7288    0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  2  0  0  0  0
 10 20  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2572👍, 0💬