N-(cyanomethyl)-4-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-2-[3-(4-mesylphenyl)phenyl]-4-methyl-valeramide Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)NCC#N

InChI

InChI=1S/C21H24N2O3S/c1-15(2)13-20(21(24)23-12-11-22)18-6-4-5-17(14-18)16-7-9-19(10-8-16)27(3,25)26/h4-10,14-15,20H,12-13H2,1-3H3,(H,23,24)