(2R)-2-[3-(3-methylbutoxy)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: (2R)-2-[3-(3-methylbutoxy)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2R)-2-(benzenesulfonyl)-2-(3-isopentyloxyquinoxalin-2-yl)acetonitrile CAS Name: (2R)-2-(benzenesulfonyl)-2-[3-(3-methylbutoxy)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(benzenesulfonyl)-2-[3-(3-methylbutoxy)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-besyl-2-(3-isoamoxyquinoxalin-2-yl)acetonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=NC2=CC=CC=C2N=C1[C@H](C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-15(2)12-13-27-21-20(23-17-10-6-7-11-18(17)24-21)19(14-22)28(25,26)16-8-4-3-5-9-16/h3-11,15,19H,12-13H2,1-2H3/t19-/m0/s1