2-[3-(2-methylpropoxy)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-[3-(2-methylpropoxy)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(3-isobutoxyquinoxalin-2-yl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-[3-(2-methylpropoxy)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-[3-(2-methylpropoxy)quinoxalin-2-yl]acetonitrile Traditional Name: 2-besyl-2-(3-isobutoxyquinoxalin-2-yl)acetonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-14(2)13-26-20-19(22-16-10-6-7-11-17(16)23-20)18(12-21)27(24,25)15-8-4-3-5-9-15/h3-11,14,18H,13H2,1-2H3