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

Systemtic Name: 2-methyl-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H21N3O5S3 MolecularWeight: 455.57144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O5S3/c1-12-10-18(22)21-16-11-15(6-7-17(16)27-12)29(25,26)20-9-8-13-2-4-14(5-3-13)28(19,23)24/h2-7,11-12,20H,8-10H2,1H3,(H,21,22)(H2,19,23,24)