ethyl 1-[6-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(5-ethylsulfonyl-2-hydroxy-anilino)-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[6-(5-ethylsulfonyl-2-hydroxyanilino)-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(5-ethylsulfonyl-2-hydroxyanilino)-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(5-esyl-2-hydroxy-anilino)-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)NC3=C(C=CC(=C3)S(=O)(=O)CC)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)NC3=C(C=CC(=C3)S(=O)(=O)CC)O)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7S/c1-3-32-21(27)14-9-11-24(12-10-14)20-17(25(28)29)6-8-19(23-20)22-16-13-15(5-7-18(16)26)33(30,31)4-2/h5-8,13-14,26H,3-4,9-12H2,1-2H3,(H,22,23)