(2R)-2-(3-hexoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: (2R)-2-(3-hexoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2R)-2-(benzenesulfonyl)-2-(3-hexoxyquinoxalin-2-yl)acetonitrile CAS Name: (2R)-2-(benzenesulfonyl)-2-(3-hexoxy-2-quinoxalinyl)acetonitrile IUPAC Name: (2R)-2-(benzenesulfonyl)-2-(3-hexoxyquinoxalin-2-yl)acetonitrile Traditional Name: (2R)-2-besyl-2-(3-hexoxyquinoxalin-2-yl)acetonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=NC2=CC=CC=C2N=C1[C@H](C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-2-3-4-10-15-28-22-21(24-18-13-8-9-14-19(18)25-22)20(16-23)29(26,27)17-11-6-5-7-12-17/h5-9,11-14,20H,2-4,10,15H2,1H3/t20-/m0/s1