N-(4-ethoxyphenyl)-N,2-dimethyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-N,2-dimethyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-ethoxyphenyl)-N,2-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(4-ethoxyphenyl)-N,2-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(4-ethoxyphenyl)-N,2-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N,2-dimethyl-N-p-phenetyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C19H22N2O4S2/c1-4-25-15-7-5-14(6-8-15)21(3)27(23,24)16-9-10-18-17(12-16)20-19(22)11-13(2)26-18/h5-10,12-13H,4,11H2,1-3H3,(H,20,22)