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

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

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-16-8-7-13-26(15-16)22-21(24-18-11-5-6-12-19(18)25-22)20(14-23)29(27,28)17-9-3-2-4-10-17/h2-6,9-12,16,20H,7-8,13,15H2,1H3/t16-,20+/m0/s1