2-(4-methylphenyl)sulfonyl-2-(3-pentoxyquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-(3-pentoxyquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-pentoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-(3-pentoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-(3-pentoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-amoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-3-4-7-14-28-22-21(24-18-8-5-6-9-19(18)25-22)20(15-23)29(26,27)17-12-10-16(2)11-13-17/h5-6,8-13,20H,3-4,7,14H2,1-2H3