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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-(2-methoxy-5-methyl-phenyl)-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C18H20N2O4S2/c1-11-4-6-16(24-3)14(8-11)20-26(22,23)13-5-7-17-15(10-13)19-18(21)9-12(2)25-17/h4-8,10,12,20H,9H2,1-3H3,(H,19,21)