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

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

Click to see the large picture

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

Isomeric SMILES

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

InChI

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