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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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