ethyl 4-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 4-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: ethyl 4-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 4-[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate; 2-hydroxy-2-oxoacetate Traditional Name: 4-(4-nosylpiperazin-1-ium-1-yl)piperidine-1-carboxylic acid ethyl ester binoxalate Formula: C20H28N4O10S MolecularWeight: 516.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H26N4O6S.C2H2O4/c1-2-28-18(23)20-9-7-15(8-10-20)19-11-13-21(14-12-19)29(26,27)17-5-3-16(4-6-17)22(24)25;3-1(4)2(5)6/h3-6,15H,2,7-14H2,1H3;(H,3,4)(H,5,6)