4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: 4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H19N3O5S3 MolecularWeight: 441.54486

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)NC1=O

InChI

InChI=1S/C17H19N3O5S3/c18-27(22,23)13-3-1-12(2-4-13)7-9-19-28(24,25)14-5-6-16-15(11-14)20-17(21)8-10-26-16/h1-6,11,19H,7-10H2,(H,20,21)(H2,18,22,23)