methyl 1-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]isonipecotic acid methyl ester Formula: C17H23N3O8S MolecularWeight: 429.44482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O8S/c1-27-15-5-4-13(20(23)24)10-14(15)19(29(3,25)26)11-16(21)18-8-6-12(7-9-18)17(22)28-2/h4-5,10,12H,6-9,11H2,1-3H3