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

Systemtic Name: ethyl 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-hydroxyphenyl)sulfonylphenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C24H24N4O8S MolecularWeight: 528.53436

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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)C4=CC=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O8S/c1-2-35-24(30)16-11-13-27(14-12-16)22-21(28(31)32)23(26-15-25-22)36-18-5-9-20(10-6-18)37(33,34)19-7-3-17(29)4-8-19/h3-10,15-16,29H,2,11-14H2,1H3