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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H17ClN2O4S2 MolecularWeight: 412.91088

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O4S2/c1-10-7-17(21)19-14-9-12(4-6-16(14)25-10)26(22,23)20-13-8-11(18)3-5-15(13)24-2/h3-6,8-10,20H,7H2,1-2H3,(H,19,21)