Molecule FYI-1016613

A

Molecule Summary:

ID: FYI-1016613
Names:
InChIKey: WHOIPJVTLSHOBY-UHFFFAOYSA-N
SMILES: COc4ccc(CC1CS(=O)(=O)CC1NCCc2c[nH]c3ccccc23)cc4.O=S=O

Received at FYIcenter.com on: 2026-01-28

Molecule ID: FYI-1016613 Edit

Molecule Structure InChIKey: WHOIPJVTLSHOBY-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(CC1CS(=O)(=O)CC1NCCc2c[nH]c3ccccc23)cc4.O=S=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016613
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    5.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 27  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016613-3D
FYIcenter.com

 57 59  0  0  1  0  0  0  0  0999 V2000
   11.8930   -4.0981    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9557   -3.8963   -0.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6462   -4.1799   -0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6977   -3.4040   -1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3263   -3.6088   -0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0639   -6.8387   -2.1206 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2026-02-02, 559👍, 0💬