2-(phenylsulfonyl)-2-(3-propoxyquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(phenylsulfonyl)-2-(3-propoxyquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(3-propoxyquinoxalin-2-yl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(3-propoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(3-propoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-besyl-2-(3-propoxyquinoxalin-2-yl)acetonitrile Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c1-2-12-25-19-18(21-15-10-6-7-11-16(15)22-19)17(13-20)26(23,24)14-8-4-3-5-9-14/h3-11,17H,2,12H2,1H3