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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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