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

Systemtic Name: 2-(3-butoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(3-butoxyquinoxalin-2-yl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(3-butoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(3-butoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-besyl-2-(3-butoxyquinoxalin-2-yl)acetonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

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