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

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

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC)NC1=O

InChI

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