ethanedioic acid; 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-[2-(trifluoromethyl)benzyl]piperazine; oxalic acid Formula: C16H21F3N2O6S MolecularWeight: 426.40795

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19F3N2O2S.C2H2O4/c1-2-22(20,21)19-9-7-18(8-10-19)11-12-5-3-4-6-13(12)14(15,16)17;3-1(4)2(5)6/h3-6H,2,7-11H2,1H3;(H,3,4)(H,5,6)