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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-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:

CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C)OC

InChI

InChI=1S/C20H24N2O5S2/c1-4-27-17-7-5-14(10-18(17)26-3)12-21-29(24,25)15-6-8-19-16(11-15)22-20(23)9-13(2)28-19/h5-8,10-11,13,21H,4,9,12H2,1-3H3,(H,22,23)