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

Systemtic Name: 2-(3-methylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(m-tolylsulfonyl)-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(3-methylphenyl)sulfonyl-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3-methylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: 2-(m-tolylsulfonyl)-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetonitrile Formula: C27H25N5O2S MolecularWeight: 483.5847

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O2S/c1-20-8-7-11-22(18-20)35(33,34)25(19-28)26-27(30-24-13-6-5-12-23(24)29-26)32-16-14-31(15-17-32)21-9-3-2-4-10-21/h2-13,18,25H,14-17H2,1H3