3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(o-tolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(o-tolyl)piperazino]sulfonylbenzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H19N3O2S/c1-15-5-2-3-8-18(15)20-9-11-21(12-10-20)24(22,23)17-7-4-6-16(13-17)14-19/h2-8,13H,9-12H2,1H3