N-[4-(cyanomethyl)phenyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 3-besyl-N-[4-(cyanomethyl)phenyl]propionamide Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H16N2O3S/c18-12-10-14-6-8-15(9-7-14)19-17(20)11-13-23(21,22)16-4-2-1-3-5-16/h1-9H,10-11,13H2,(H,19,20)