Molecule FYI-1013789

A

Molecule Summary:

ID: FYI-1013789
Names:
InChIKey: GQYWMELDXMRFKZ-UHFFFAOYSA-N
SMILES: Cn3c(=O)c2cc(S(=O)(=O)NC1(C)CC1)ccc2n(C)c3=O

Received at FYIcenter.com on: 2025-01-25

Molecule ID: FYI-1013789 Edit

Molecule Structure InChIKey: GQYWMELDXMRFKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c2cc(S(=O)(=O)NC1(C)CC1)ccc2n(C)c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013789
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.4622    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 21  2  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013789-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
   -2.5960   -0.7708   -0.7977 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057    0.3258   -1.7346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0630   -2.1072   -1.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5741    2.4691   -0.8109 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3022    0.0605    0.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2460   -0.3415    0.7301 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2603   -1.0222    0.4445 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    1.2935   -0.0981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4471    0.5175    0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6943    1.4769    1.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2901    2.0057    0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6339   -0.1602    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909   -0.8519   -0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923    0.2802   -0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -2.0474   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    0.2148   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -0.9779    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412   -2.1106    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    1.4280   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0915    0.1052    0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8486   -2.2875    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2676    2.5000   -0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9642    1.5281    2.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7136    1.6509    2.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0388    2.5301   -0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4916   -0.3033   -0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8025   -1.1398    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5504    0.4263    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -0.1167    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368    1.2180   -0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9245   -2.9452    0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -3.0693    0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137   -3.0429    0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734   -2.6056    1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213   -2.1905    1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7857    3.3216    0.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3121    2.7656   -1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2828    2.3684    0.1445 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  6  1  0  0  0  0
  1 13  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  2  0  0  0  0
  6  9  1  0  0  0  0
  6 30  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1104👍, 0💬