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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-(3-propoxyquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-propoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-(3-propoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-(3-propoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-propoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19N3O3S/c1-3-12-26-20-19(22-16-6-4-5-7-17(16)23-20)18(13-21)27(24,25)15-10-8-14(2)9-11-15/h4-11,18H,3,12H2,1-2H3