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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(5-chloro-2-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H15ClN2O3S2 MolecularWeight: 382.8849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H15ClN2O3S2/c1-10-2-3-11(17)8-13(10)19-24(21,22)12-4-5-15-14(9-12)18-16(20)6-7-23-15/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)