2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-methyl-1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-methyl-1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: 2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperidino)quinoxalin-2-yl]acetonitrile Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C24H26N4O2S/c1-16-10-12-28(13-11-16)24-23(26-19-6-4-5-7-20(19)27-24)22(15-25)31(29,30)21-14-17(2)8-9-18(21)3/h4-9,14,16,22H,10-13H2,1-3H3