(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: (2S)-2-(p-tolylsulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile CAS Name: (2S)-2-(4-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: (2S)-2-(3-pyrrolidinoquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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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=C2N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C21H20N4O2S/c1-15-8-10-16(11-9-15)28(26,27)19(14-22)20-21(25-12-4-5-13-25)24-18-7-3-2-6-17(18)23-20/h2-3,6-11,19H,4-5,12-13H2,1H3/t19-/m1/s1