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

Systemtic Name: (2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: (2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile CAS Name: (2S)-2-(3,4-dimethylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: (2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyrrolidinoquinoxalin-2-yl)acetonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-15-9-10-17(13-16(15)2)29(27,28)20(14-23)21-22(26-11-5-6-12-26)25-19-8-4-3-7-18(19)24-21/h3-4,7-10,13,20H,5-6,11-12H2,1-2H3/t20-/m1/s1