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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

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

InChI

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