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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2,4-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

InChI

InChI=1S/C17H18N2O5S2/c1-23-11-3-5-13(15(9-11)24-2)19-26(21,22)12-4-6-16-14(10-12)18-17(20)7-8-25-16/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,20)