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

Systemtic Name: ethanedioic acid; 1-(2-nitrophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C18H20N4O8S MolecularWeight: 452.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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