2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-(4-tosylpiperazino)benzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

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