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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-(3-nonoxyquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-nonoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-(3-nonoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-(3-nonoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-nonoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H31N3O3S/c1-3-4-5-6-7-8-11-18-32-26-25(28-22-12-9-10-13-23(22)29-26)24(19-27)33(30,31)21-16-14-20(2)15-17-21/h9-10,12-17,24H,3-8,11,18H2,1-2H3