methyl 1-[2-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]-1-oxoethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetyl]oxyacetyl]isonipecotic acid methyl ester Formula: C18H23N3O9S2 MolecularWeight: 489.51992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O9S2/c1-29-18(24)12-5-7-20(8-6-12)16(22)11-30-17(23)10-19-32(27,28)13-3-4-15(31-2)14(9-13)21(25)26/h3-4,9,12,19H,5-8,10-11H2,1-2H3