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

Systemtic Name: 2-(3-heptoxyquinoxalin-2-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(3-heptoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(3-heptoxy-2-quinoxalinyl)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(3-heptoxyquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(3-heptoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H27N3O3S/c1-3-4-5-6-9-16-30-24-23(26-20-10-7-8-11-21(20)27-24)22(17-25)31(28,29)19-14-12-18(2)13-15-19/h7-8,10-15,22H,3-6,9,16H2,1-2H3