2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C20H20N6O5S2 MolecularWeight: 488.54

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H20N6O5S2/c1-2-3-8-25-18-7-5-15(33(22,30)31)10-17(18)24-20(25)32-12-19(27)23-16-6-4-14(26(28)29)9-13(16)11-21/h4-7,9-10H,2-3,8,12H2,1H3,(H,23,27)(H2,22,30,31)