(2R)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: (2R)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-methyl-1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-methyl-1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-besyl-2-[3-(4-methylpiperidino)quinoxalin-2-yl]acetonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-16-11-13-26(14-12-16)22-21(24-18-9-5-6-10-19(18)25-22)20(15-23)29(27,28)17-7-3-2-4-8-17/h2-10,16,20H,11-14H2,1H3/t20-/m0/s1