2-[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-(3,5-dimethyl-1-piperidyl)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile CAS Name: 2-[3-(3,5-dimethyl-1-piperidinyl)-2-quinoxalinyl]-2-(4-fluorophenyl)sulfonylacetonitrile IUPAC Name: 2-[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile Traditional Name: 2-[3-(3,5-dimethylpiperidino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H23FN4O2S/c1-15-11-16(2)14-28(13-15)23-22(26-19-5-3-4-6-20(19)27-23)21(12-25)31(29,30)18-9-7-17(24)8-10-18/h3-10,15-16,21H,11,13-14H2,1-2H3