N-[4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-prop-1-enyl]phenyl]methanesulfonamide CAS Name: N-[4-[(E)-3-[2-(4-methoxyphenyl)-1-azepanyl]-3-oxoprop-1-enyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxoprop-1-enyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(E)-3-keto-3-[2-(4-methoxyphenyl)azepan-1-yl]prop-1-enyl]phenyl]methanesulfonamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C=CC3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)/C=C/C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C23H28N2O4S/c1-29-21-14-10-19(11-15-21)22-6-4-3-5-17-25(22)23(26)16-9-18-7-12-20(13-8-18)24-30(2,27)28/h7-16,22,24H,3-6,17H2,1-2H3/b16-9+