2-(3-methylphenyl)sulfonyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(3-methylphenyl)sulfonyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanenitrile Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-(m-tolylsulfonyl)acetonitrile CAS Name: 2-(3-methylphenyl)sulfonyl-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetonitrile IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonylacetonitrile Traditional Name: 2-[3-(4-benzylpiperazino)quinoxalin-2-yl]-2-(m-tolylsulfonyl)acetonitrile Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-21-8-7-11-23(18-21)36(34,35)26(19-29)27-28(31-25-13-6-5-12-24(25)30-27)33-16-14-32(15-17-33)20-22-9-3-2-4-10-22/h2-13,18,26H,14-17,20H2,1H3