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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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