ethyl 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C25H25N3O8S MolecularWeight: 527.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O8S/c1-2-35-25(30)17-13-15-27(16-14-17)24-22(28(31)32)11-12-23(26-24)36-19-5-9-21(10-6-19)37(33,34)20-7-3-18(29)4-8-20/h3-12,17,29H,2,13-16H2,1H3