Molecule Editor

Molecule ID: FYI-1002936 Edit

Molecule Structure InChIKey: XLXQCRCFRLLZKX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCc3cn(CCN(Cc1cccc(C)c1)S(=O)(=O)c2ccc(C)cc2)c4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002936
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   17.2311    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0187    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0187    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3814    4.0553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6814    2.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5935    8.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3811    8.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5934   10.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  2  0  0  0  0
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 21 20  1  0  0  0  0
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 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
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 27 26  1  0  0  0  0
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 11 29  1  0  0  0  0
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 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 34 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002936-3D
FYIcenter.com

 69 72  0  0  0  0  0  0  0  0999 V2000
   13.0319    8.7264   -7.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3301    6.3627   -7.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9313    7.3915   -5.9211 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5595    4.3470   -3.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5369    2.3568   -3.6801 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8223    1.1922   -4.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4629    1.1391   -5.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5083   -0.1343   -6.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1613   -0.4975   -8.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0115    1.0753   -8.2932 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$