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

Systemtic Name: 2-methyl-N-(3-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-N-(m-tolyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-N-(3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-N-(3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-(m-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S2/c1-11-4-3-5-13(8-11)19-24(21,22)14-6-7-16-15(10-14)18-17(20)9-12(2)23-16/h3-8,10,12,19H,9H2,1-2H3,(H,18,20)