N-(cyanomethyl)-5-phenyl-2-[(phenylmethyl)sulfonylmethyl]pentanamide

Systemtic Name: N-(cyanomethyl)-5-phenyl-2-[(phenylmethyl)sulfonylmethyl]pentanamide Openeye Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-5-phenyl-pentanamide CAS Name: N-(cyanomethyl)-5-phenyl-2-[(phenylmethyl)sulfonylmethyl]pentanamide IUPAC Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-5-phenylpentanamide Traditional Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-5-phenyl-valeramide Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C21H24N2O3S/c22-14-15-23-21(24)20(13-7-12-18-8-3-1-4-9-18)17-27(25,26)16-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-13,15-17H2,(H,23,24)