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

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C27H24ClN5O2S MolecularWeight: 518.02976

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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)C5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN5O2S/c1-19-9-11-22(12-10-19)36(34,35)25(18-29)26-27(31-24-8-3-2-7-23(24)30-26)33-15-13-32(14-16-33)21-6-4-5-20(28)17-21/h2-12,17,25H,13-16H2,1H3