1-(4-nitrophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(4-nitrophenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-(4-nitrophenyl)sulfonyl-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(4-nitrophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-nosyl-4-(3-pyridylmethyl)piperazin-4-ium binoxalate Formula: C18H20N4O8S MolecularWeight: 452.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H18N4O4S.C2H2O4/c21-20(22)15-3-5-16(6-4-15)25(23,24)19-10-8-18(9-11-19)13-14-2-1-7-17-12-14;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)