(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanenitrile Openeye Name: (2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(3-morpholinoquinoxalin-2-yl)acetonitrile CAS Name: (2S)-2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetonitrile Traditional Name: (2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(3-morpholinoquinoxalin-2-yl)acetonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-15-7-8-16(2)19(13-15)30(27,28)20(14-23)21-22(26-9-11-29-12-10-26)25-18-6-4-3-5-17(18)24-21/h3-8,13,20H,9-12H2,1-2H3/t20-/m1/s1