Molecule FYI-1003630

A

Molecule Summary:

ID: FYI-1003630
Names:
InChIKey: GGSFUVGMRGKPOM-UHFFFAOYSA-N
SMILES: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3cncs3)cc4C#N

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003630 Edit

Molecule Structure InChIKey: GGSFUVGMRGKPOM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3cncs3)cc4C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003630
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
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    6.1015    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
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 26 30  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003630-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
   -0.8512   -4.7268    2.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051   -5.8077    2.8521 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213   -6.9049    3.5724 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -7.7377    3.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -7.1722    2.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183   -5.9143    2.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -4.9969    1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100   -5.6030    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969   -4.8668   -0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3007   -5.6497   -2.0070 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0585   -3.5092   -0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8162   -1.1674    2.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    0.1909    2.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944    1.1263    2.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    2.8490    2.2581 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    2.9203    1.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    3.5145    1.9311 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233    3.3135    3.8032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3590    4.4838    4.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  3  0  0  0  0
M  END
$$$$

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2023-07-29, 2804👍, 0💬