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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-veratryl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H22N2O5S2/c1-12-8-19(22)21-15-10-14(5-7-18(15)27-12)28(23,24)20-11-13-4-6-16(25-2)17(9-13)26-3/h4-7,9-10,12,20H,8,11H2,1-3H3,(H,21,22)