ethyl 1-[6-(2-azanyl-4-ethylsulfonyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(2-azanyl-4-ethylsulfonyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2-amino-4-ethylsulfonyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2-amino-4-ethylsulfonylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-amino-4-ethylsulfonylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2-amino-4-esyl-phenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H25N5O7S MolecularWeight: 479.5068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O7S/c1-3-31-20(26)13-7-9-24(10-8-13)18-17(25(27)28)19(23-12-22-18)32-16-6-5-14(11-15(16)21)33(29,30)4-2/h5-6,11-13H,3-4,7-10,21H2,1-2H3