N-butyl-N-(cyanomethyl)-4-phenyl-benzenesulfonamide

Systemtic Name: N-butyl-N-(cyanomethyl)-4-phenyl-benzenesulfonamide Openeye Name: N-butyl-N-(cyanomethyl)-4-phenyl-benzenesulfonamide CAS Name: N-butyl-N-(cyanomethyl)-4-phenylbenzenesulfonamide IUPAC Name: N-butyl-N-(cyanomethyl)-4-phenylbenzenesulfonamide Traditional Name: N-butyl-N-(cyanomethyl)-4-phenyl-benzenesulfonamide Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-2-3-14-20(15-13-19)23(21,22)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,2-3,14-15H2,1H3