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

Systemtic Name: 4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(o-tolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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