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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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