ethyl 1-[4-(4-ethylsulfonylphenoxy)-3-nitro-pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-ethylsulfonylphenoxy)-3-nitro-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-ethylsulfonylphenoxy)-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[4-(4-ethylsulfonylphenoxy)-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-ethylsulfonylphenoxy)-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-esylphenoxy)-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-3-30-21(25)15-10-13-23(14-11-15)20-19(24(26)27)18(9-12-22-20)31-16-5-7-17(8-6-16)32(28,29)4-2/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3