(2R)-2-(4-methylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: (2R)-2-(4-methylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanenitrile Openeye Name: (2R)-2-(3-morpholinoquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: (2R)-2-(4-methylphenyl)sulfonyl-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(4-methylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetonitrile Traditional Name: (2R)-2-(3-morpholinoquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4

InChI

InChI=1S/C21H20N4O3S/c1-15-6-8-16(9-7-15)29(26,27)19(14-22)20-21(25-10-12-28-13-11-25)24-18-5-3-2-4-17(18)23-20/h2-9,19H,10-13H2,1H3/t19-/m0/s1