(2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]ethanenitrile Openeye Name: (2S)-2-(3-tert-butoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: (2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxy]-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]acetonitrile Traditional Name: (2S)-2-(3-tert-butoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2OC(C)(C)C

InChI

InChI=1S/C21H21N3O3S/c1-14-9-11-15(12-10-14)28(25,26)18(13-22)19-20(27-21(2,3)4)24-17-8-6-5-7-16(17)23-19/h5-12,18H,1-4H3/t18-/m1/s1