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

Systemtic Name: 2-(3-heptoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(3-heptoxyquinoxalin-2-yl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(3-heptoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(3-heptoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-besyl-2-(3-heptoxyquinoxalin-2-yl)acetonitrile Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-2-3-4-5-11-16-29-23-22(25-19-14-9-10-15-20(19)26-23)21(17-24)30(27,28)18-12-7-6-8-13-18/h6-10,12-15,21H,2-5,11,16H2,1H3