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

Systemtic Name: N-(2,5-diethoxyphenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2,5-diethoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2,5-diethoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2,5-diethoxyphenyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C20H24N2O5S2/c1-4-26-14-6-8-18(27-5-2)16(11-14)22-29(24,25)15-7-9-19-17(12-15)21-20(23)10-13(3)28-19/h6-9,11-13,22H,4-5,10H2,1-3H3,(H,21,23)