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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetonitrile Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N5O2S/c1-20-12-13-23(18-21(20)2)36(34,35)26(19-29)27-28(31-25-11-7-6-10-24(25)30-27)33-16-14-32(15-17-33)22-8-4-3-5-9-22/h3-13,18,26H,14-17H2,1-2H3