[1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O6S/c1-12(27-18(24)13-7-9-20(10-8-13)28(2,25)26)17(23)21-11-16(22)19-14-5-3-4-6-15(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)