(2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanenitrile Openeye Name: (2S)-2-[3-[(3R)-3-methyl-1-piperidyl]quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: (2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(3R)-3-methyl-1-piperidinyl]-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(4-methylphenyl)sulfonyl-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetonitrile Traditional Name: (2S)-2-[3-[(3R)-3-methylpiperidino]quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H24N4O2S/c1-16-9-11-18(12-10-16)30(28,29)21(14-24)22-23(27-13-5-6-17(2)15-27)26-20-8-4-3-7-19(20)25-22/h3-4,7-12,17,21H,5-6,13,15H2,1-2H3/t17-,21-/m1/s1