1-[3-[cyano-(4-methylphenyl)sulfonyl-methyl]quinoxalin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[cyano-(4-methylphenyl)sulfonyl-methyl]quinoxalin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[3-[cyano(p-tolylsulfonyl)methyl]quinoxalin-2-yl]piperidine-4-carboxamide CAS Name: 1-[3-[cyano-(4-methylphenyl)sulfonylmethyl]-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[cyano-(4-methylphenyl)sulfonylmethyl]quinoxalin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[3-[cyano(tosyl)methyl]quinoxalin-2-yl]isonipecotamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H23N5O3S/c1-15-6-8-17(9-7-15)32(30,31)20(14-24)21-23(27-19-5-3-2-4-18(19)26-21)28-12-10-16(11-13-28)22(25)29/h2-9,16,20H,10-13H2,1H3,(H2,25,29)