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

Systemtic Name: 2-(3-octoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(3-octoxyquinoxalin-2-yl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(3-octoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(3-octoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-besyl-2-(3-octoxyquinoxalin-2-yl)acetonitrile Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3S/c1-2-3-4-5-6-12-17-30-24-23(26-20-15-10-11-16-21(20)27-24)22(18-25)31(28,29)19-13-8-7-9-14-19/h7-11,13-16,22H,2-6,12,17H2,1H3