ethanedioic acid; 1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-(3-nitrobenzyl)piperazine; oxalic acid Formula: C15H21N3O8S MolecularWeight: 403.40754

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O4S.C2H2O4/c1-2-21(19,20)15-8-6-14(7-9-15)11-12-4-3-5-13(10-12)16(17)18;3-1(4)2(5)6/h3-5,10H,2,6-9,11H2,1H3;(H,3,4)(H,5,6)