N-[4-(cyanomethyl)phenyl]-2-[(4-iodophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4-iodophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-iodo-anilino]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(N-besyl-4-iodo-anilino)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C22H18IN3O3S MolecularWeight: 531.36609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=C(C=C3)I

InChI

InChI=1S/C22H18IN3O3S/c23-18-8-12-20(13-9-18)26(30(28,29)21-4-2-1-3-5-21)16-22(27)25-19-10-6-17(7-11-19)14-15-24/h1-13H,14,16H2,(H,25,27)