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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

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