2-(3-butoxyquinoxalin-2-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(3-butoxyquinoxalin-2-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(3-butoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(3-butoxy-2-quinoxalinyl)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(3-butoxyquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(3-butoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O3S/c1-3-4-13-27-21-20(23-17-7-5-6-8-18(17)24-21)19(14-22)28(25,26)16-11-9-15(2)10-12-16/h5-12,19H,3-4,13H2,1-2H3