Molecule FYI-1003601

A

Molecule Summary:

ID: FYI-1003601
Names:
InChIKey: VZMTZOXNCWXPEM-UHFFFAOYSA-N
SMILES: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncsn3)cc4F

Received at FYIcenter.com on: 2023-07-10

Molecule ID: FYI-1003601 Edit

Molecule Structure InChIKey: VZMTZOXNCWXPEM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncsn3)cc4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003601
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6765    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5593    5.3829    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1582    6.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1399    7.6090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4198    2.3565    0.0000 F   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
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  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
  4 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 28 29  2  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003601-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.6073   -3.7596    4.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629   -4.9518    3.4813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554   -6.0092    4.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673   -6.9420    3.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4418   -6.5038    2.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032   -5.1820    2.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7551   -4.2424    0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5134   -4.4671   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629   -3.6833   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -3.9791   -2.7079 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4178   -2.6749   -1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -2.4519   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736   -3.1784    0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349   -2.8770    2.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2939   -1.5582    2.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.3427    2.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0809   -0.0395    2.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2772    1.0454    2.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    2.6787    2.4194 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4234    2.5192    2.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2349    3.3806    1.4021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228    3.4337    3.8670 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    2.6701    5.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6915    2.2013    5.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3155    1.6694    1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
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  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
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 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 27  2  0  0  0  0
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 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 933👍, 0💬