2-(3-methylphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(3-methylphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(m-tolylsulfonyl)-2-[3-(1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(3-methylphenyl)sulfonyl-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3-methylphenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(m-tolylsulfonyl)-2-(3-piperidinoquinoxalin-2-yl)acetonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4

InChI

InChI=1S/C22H22N4O2S/c1-16-8-7-9-17(14-16)29(27,28)20(15-23)21-22(26-12-5-2-6-13-26)25-19-11-4-3-10-18(19)24-21/h3-4,7-11,14,20H,2,5-6,12-13H2,1H3