N-[(E)-4-(3,4-dimethoxyphenyl)-3-fluoranyl-but-3-enyl]-N-(phenylsulfonyl)benzenesulfonamide

Systemtic Name: N-[(E)-4-(3,4-dimethoxyphenyl)-3-fluoranyl-but-3-enyl]-N-(phenylsulfonyl)benzenesulfonamide Openeye Name: N-(benzenesulfonyl)-N-[(E)-4-(3,4-dimethoxyphenyl)-3-fluoro-but-3-enyl]benzenesulfonamide CAS Name: N-(benzenesulfonyl)-N-[(E)-4-(3,4-dimethoxyphenyl)-3-fluorobut-3-enyl]benzenesulfonamide IUPAC Name: N-(benzenesulfonyl)-N-[(E)-4-(3,4-dimethoxyphenyl)-3-fluorobut-3-enyl]benzenesulfonamide Traditional Name: N-besyl-N-[(E)-4-(3,4-dimethoxyphenyl)-3-fluoro-but-3-enyl]benzenesulfonamide Formula: C24H24FNO6S2 MolecularWeight: 505.578863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(CCN(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\CCN(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)/F)OC

InChI

InChI=1S/C24H24FNO6S2/c1-31-23-14-13-19(18-24(23)32-2)17-20(25)15-16-26(33(27,28)21-9-5-3-6-10-21)34(29,30)22-11-7-4-8-12-22/h3-14,17-18H,15-16H2,1-2H3/b20-17+