(2S)-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile

Systemtic Name: (2S)-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile Openeye Name: (2S)-2-[3-[(3R)-3-methyl-1-piperidyl]quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile CAS Name: (2S)-2-[3-[(3R)-3-methyl-1-piperidinyl]-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile IUPAC Name: (2S)-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile Traditional Name: (2S)-2-[3-[(3R)-3-methylpiperidino]quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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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=CS4

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N4O2S2/c1-14-6-4-10-24(13-14)20-19(22-15-7-2-3-8-16(15)23-20)17(12-21)28(25,26)18-9-5-11-27-18/h2-3,5,7-9,11,14,17H,4,6,10,13H2,1H3/t14-,17-/m1/s1