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

Systemtic Name: 2-[3-(3-methylbutoxy)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(3-isopentyloxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-[3-(3-methylbutoxy)-2-quinoxalinyl]-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-[3-(3-methylbutoxy)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(3-isoamoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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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=C2OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OCCC(C)C

InChI

InChI=1S/C22H23N3O3S/c1-15(2)12-13-28-22-21(24-18-6-4-5-7-19(18)25-22)20(14-23)29(26,27)17-10-8-16(3)9-11-17/h4-11,15,20H,12-13H2,1-3H3