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

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(4-nitrophenyl)sulfonyl-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-(4-nitrophenyl)sulfonyl-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(4-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-nosyl-4-(3-thenyl)piperazin-4-ium binoxalate Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S2.C2H2O4/c19-18(20)14-1-3-15(4-2-14)24(21,22)17-8-6-16(7-9-17)11-13-5-10-23-12-13;3-1(4)2(5)6/h1-5,10,12H,6-9,11H2;(H,3,4)(H,5,6)