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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=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)15-3-1-2-4-16(15)25(23,24)19-11-9-18(10-12-19)13-14-5-7-17-8-6-14;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)