2-[3-(diethylamino)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-[3-(diethylamino)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-(diethylamino)quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-[3-(diethylamino)-2-quinoxalinyl]-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-[3-(diethylamino)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-[3-(diethylamino)quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N4O2S/c1-4-25(5-2)21-20(23-17-8-6-7-9-18(17)24-21)19(14-22)28(26,27)16-12-10-15(3)11-13-16/h6-13,19H,4-5H2,1-3H3