N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylsulfonyl-1-benzimidazolyl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-mesylbenzimidazol-1-yl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)C)C

InChI

InChI=1S/C21H22N4O3S/c1-15-11-16(2)13-17(12-15)24(10-6-9-22)20(26)14-25-19-8-5-4-7-18(19)23-21(25)29(3,27)28/h4-5,7-8,11-13H,6,10,14H2,1-3H3