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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methyl-1-piperazinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperazino)quinoxalin-2-yl]acetonitrile Formula: C23H25N5O2S MolecularWeight: 435.5419

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2S/c1-16-8-9-18(14-17(16)2)31(29,30)21(15-24)22-23(28-12-10-27(3)11-13-28)26-20-7-5-4-6-19(20)25-22/h4-9,14,21H,10-13H2,1-3H3