N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-homoveratryl-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=O

InChI

InChI=1S/C20H24N2O5S2/c1-13-12-28-19-7-5-15(11-16(19)22-20(13)23)29(24,25)21-9-8-14-4-6-17(26-2)18(10-14)27-3/h4-7,10-11,13,21H,8-9,12H2,1-3H3,(H,22,23)