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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-15-5-4-6-16(13-15)29(26,27)19(14-22)20-21(25-9-11-28-12-10-25)24-18-8-3-2-7-17(18)23-20/h2-8,13,19H,9-12H2,1H3/t19-/m1/s1