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

Systemtic Name: 4-oxidanylidene-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 4-oxo-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 4-oxo-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 4-oxo-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C15H15N3O5S3 MolecularWeight: 413.4917

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N)NC1=O

InChI

InChI=1S/C15H15N3O5S3/c16-25(20,21)11-3-1-10(2-4-11)18-26(22,23)12-5-6-14-13(9-12)17-15(19)7-8-24-14/h1-6,9,18H,7-8H2,(H,17,19)(H2,16,20,21)