Molecule FYI-1009270

A

Molecule Summary:

ID: FYI-1009270
Names:
InChIKey: RFMAVKGDAAWNKE-UHFFFAOYSA-N
SMILES: O=C(O)c1ccccc1NS(=O)(=O)c3ccc2CCCCc2c3

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

Molecule ID: FYI-1009270 Edit

Molecule Structure InChIKey: RFMAVKGDAAWNKE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1ccccc1NS(=O)(=O)c3ccc2CCCCc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009270
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.7622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    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
    1.2125    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009270-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
    1.2648   -2.2347   -0.8010 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996   -3.5414   -0.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443   -2.1469   -2.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    1.3776    2.7643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970   -0.3703    2.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   -1.1759   -0.0946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620    1.8020   -0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7798    0.8742   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736    0.9998   -1.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.1444    1.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035   -0.0153   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998   -0.4481    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858   -0.5813   -1.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2534   -1.5456   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   -1.4115    1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8330   -1.9588    0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830    0.2364   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9560    1.1053    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767    0.7335   -1.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8229    2.4715    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435    2.0998   -1.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166    2.9687   -0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468    0.6166    2.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4398    2.3713   -1.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4043    2.5298   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2375    0.1466   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5964    1.4458    0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266    1.6972   -1.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147    0.4656   -2.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6303   -0.6447    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7604    0.8472    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -0.2575   -2.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4857   -1.7391    2.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533   -2.6991    1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630   -1.4355    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    0.0768   -2.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820    3.1767    1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    2.4876   -2.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    4.0329   -1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    1.0409    3.6755 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 14  1  0  0  0  0
  4 23  1  0  0  0  0
  4 40  1  0  0  0  0
  5 23  2  0  0  0  0
  6 17  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1398👍, 0💬