4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)butyramide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)N

InChI

InChI=1S/C19H22N4O3S2/c1-12-10-14(28(20,25)26)11-17(13(12)2)21-18(24)8-5-9-27-19-22-15-6-3-4-7-16(15)23-19/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)