2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-[3-[butyl(methyl)amino]-2-quinoxalinyl]-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-4-5-14-26(3)22-21(24-18-8-6-7-9-19(18)25-22)20(15-23)29(27,28)17-12-10-16(2)11-13-17/h6-13,20H,4-5,14H2,1-3H3