2-[3-(butylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-[3-(butylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-(butylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile CAS Name: 2-[3-(butylamino)-2-quinoxalinyl]-2-(4-fluorophenyl)sulfonylacetonitrile IUPAC Name: 2-[3-(butylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile Traditional Name: 2-[3-(butylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4O2S/c1-2-3-12-23-20-19(24-16-6-4-5-7-17(16)25-20)18(13-22)28(26,27)15-10-8-14(21)9-11-15/h4-11,18H,2-3,12H2,1H3,(H,23,25)