Molecule FYI-1006326

A

Molecule Summary:

ID: FYI-1006326
Names:
InChIKey: RTGWVRXHYKXDOY-UHFFFAOYSA-N
SMILES: Cc4ccc(CN(Cc2ccc(c1ccccc1S(=O)(=O)[N+]#N)cc2)C(=O)c3ccccc3Cl)cc4

Received at FYIcenter.com on: 2023-12-09

Molecule ID: FYI-1006326 Edit

Molecule Structure InChIKey: RTGWVRXHYKXDOY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(CN(Cc2ccc(c1ccccc1S(=O)(=O)[N+]#N)cc2)C(=O)c3ccccc3Cl)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006326
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1704    6.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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 24 36  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006326-3D
FYIcenter.com

 59 62  0  0  0  0  0  0  0  0999 V2000
   -2.8774   -1.8601   -5.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0247   -1.0691   -4.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5067    3.5553    4.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263    3.6105    3.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9698    3.7302    4.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
$$$$

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2023-12-17, 286👍, 0💬