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

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

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

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