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

Systemtic Name: ethanedioic acid; 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid CAS Name: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid Traditional Name: 1-mesyl-4-[2-(trifluoromethyl)benzyl]piperazine; oxalic acid Formula: C15H19F3N2O6S MolecularWeight: 412.38137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F3N2O2S.C2H2O4/c1-21(19,20)18-8-6-17(7-9-18)10-11-4-2-3-5-12(11)13(14,15)16;3-1(4)2(5)6/h2-5H,6-10H2,1H3;(H,3,4)(H,5,6)