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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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