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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC(C)C

InChI

InChI=1S/C21H22N4O2S/c1-14(2)13-23-21-20(24-17-6-4-5-7-18(17)25-21)19(12-22)28(26,27)16-10-8-15(3)9-11-16/h4-11,14,19H,13H2,1-3H3,(H,23,25)