6-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-[2-(4-sulfamoylphenyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29)