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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-tosylpiperazino)methyl]benzonitrile Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O2S/c1-16-6-8-19(9-7-16)25(23,24)22-12-10-21(11-13-22)15-18-5-3-2-4-17(18)14-20/h2-9H,10-13,15H2,1H3