ethyl 1-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-sulfamoylphenoxy)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H21N5O7S MolecularWeight: 451.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O7S/c1-2-29-18(24)12-7-9-22(10-8-12)16-15(23(25)26)17(21-11-20-16)30-13-3-5-14(6-4-13)31(19,27)28/h3-6,11-12H,2,7-10H2,1H3,(H2,19,27,28)