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

Systemtic Name: 2-methyl-4-oxidanylidene-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-(4-sulfamoylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H17N3O5S3 MolecularWeight: 427.51828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H17N3O5S3/c1-10-8-16(20)18-14-9-13(6-7-15(14)25-10)27(23,24)19-11-2-4-12(5-3-11)26(17,21)22/h2-7,9-10,19H,8H2,1H3,(H,18,20)(H2,17,21,22)