2-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-tosylpiperazino)methyl]phenyl]benzonitrile Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H25N3O2S/c1-20-6-12-24(13-7-20)31(29,30)28-16-14-27(15-17-28)19-21-8-10-22(11-9-21)25-5-3-2-4-23(25)18-26/h2-13H,14-17,19H2,1H3