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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(3-chloro-2-methylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H17ClN2O3S2 MolecularWeight: 396.91148

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3S2/c1-10-8-17(21)19-15-9-12(6-7-16(15)24-10)25(22,23)20-14-5-3-4-13(18)11(14)2/h3-7,9-10,20H,8H2,1-2H3,(H,19,21)