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

Systemtic Name: ethyl 1-[2-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H25N3O9S2 MolecularWeight: 503.5465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O9S2/c1-3-30-19(25)13-6-8-21(9-7-13)17(23)12-31-18(24)11-20-33(28,29)14-4-5-16(32-2)15(10-14)22(26)27/h4-5,10,13,20H,3,6-9,11-12H2,1-2H3