[2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-(4-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[N'-(4-nitrobenzoyl)hydrazino]ethyl] ester Formula: C16H20N4O8S MolecularWeight: 428.417

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O8S/c1-29(26,27)19-8-6-12(7-9-19)16(23)28-10-14(21)17-18-15(22)11-2-4-13(5-3-11)20(24)25/h2-5,12H,6-10H2,1H3,(H,17,21)(H,18,22)