2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(m-tolylsulfonyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]acetonitrile Traditional Name: 2-[4-(m-tolylsulfonyl)piperazino]acetonitrile Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-12-3-2-4-13(11-12)19(17,18)16-9-7-15(6-5-14)8-10-16/h2-4,11H,6-10H2,1H3