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

Systemtic Name: N-(3,4-dimethylphenyl)-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(3,4-dimethylphenyl)-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(3,4-dimethylphenyl)-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(3,4-dimethylphenyl)-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(3,4-dimethylphenyl)-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

InChI

InChI=1S/C18H20N2O3S2/c1-12-4-5-14(10-13(12)2)20(3)25(22,23)15-6-7-17-16(11-15)19-18(21)8-9-24-17/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)