2-[[4-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-[4-(o-tolyl)piperazine-1-carbonyl]benzyl]sulfonylacetonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-17-4-2-3-5-20(17)23-11-13-24(14-12-23)21(25)19-8-6-18(7-9-19)16-28(26,27)15-10-22/h2-9H,11-16H2,1H3