ethanedioic acid; 1-(2-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(2-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(3-thienylmethyl)piperazine; oxalic acid CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(3-thiophenylmethyl)piperazine; oxalic acid IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(3-thenyl)piperazine; oxalic acid Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3O4S2.C2H2O4/c19-18(20)14-3-1-2-4-15(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)