Molecule FYI-1009236

A

Molecule Summary:

ID: FYI-1009236
Names:
InChIKey: YDWGSYUVWSBPGJ-UHFFFAOYSA-N
SMILES: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc1ccccc1S)ccc23

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009236 Edit

Molecule Structure InChIKey: YDWGSYUVWSBPGJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc1ccccc1S)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009236
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  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 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009236-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.8466    0.0089   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    0.0408   -0.0178 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249    1.2857   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    2.3505   -0.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4578    1.3217   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0177    2.4140   -0.0837 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1395    0.1066    0.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5952    0.1468    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4506   -1.1371    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1564   -2.3487    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4907   -3.5710   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4455   -5.0708    0.0726 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6785   -4.7150    0.7644 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725   -6.0929    0.5742 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8619   -5.4181   -1.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -6.2774   -2.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8674   -5.7197   -2.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -6.5465   -3.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -7.9281   -3.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2362   -8.4889   -2.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1374   -7.6746   -2.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5312   -8.4236   -1.4183 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982   -3.6134   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865   -2.4127   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0441   -1.1690   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    1.0108   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -0.4774    0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -0.5353   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    1.1693   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9581   -0.3985   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9915   -0.2969    0.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2370   -2.3725    0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128   -5.7994   -1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   -4.6442   -2.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088   -6.1107   -4.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296   -8.5706   -4.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693   -9.5670   -2.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1751   -9.7016   -1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5465   -4.5516   -0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022   -2.4822   -0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  2  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1881👍, 0💬