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

Systemtic Name: 2-(3-pentoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(3-pentoxyquinoxalin-2-yl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(3-pentoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(3-pentoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-amoxyquinoxalin-2-yl)-2-besyl-acetonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-2-3-9-14-27-21-20(23-17-12-7-8-13-18(17)24-21)19(15-22)28(25,26)16-10-5-4-6-11-16/h4-8,10-13,19H,2-3,9,14H2,1H3