N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetamide Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C19H17ClN4O3S2/c1-29(26,27)13-7-8-14(20)16(11-13)22-18(25)12-28-19-23-15-5-2-3-6-17(15)24(19)10-4-9-21/h2-3,5-8,11H,4,10,12H2,1H3,(H,22,25)