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

Systemtic Name: ethanedioic acid; 1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: oxalic acid; 1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: oxalic acid; 1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: oxalic acid; 1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: oxalic acid; 1-propylsulfonyl-4-[2-(trifluoromethyl)benzyl]piperazine Formula: C17H23F3N2O6S MolecularWeight: 440.43453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21F3N2O2S.C2H2O4/c1-2-11-23(21,22)20-9-7-19(8-10-20)12-13-5-3-4-6-14(13)15(16,17)18;3-1(4)2(5)6/h3-6H,2,7-12H2,1H3;(H,3,4)(H,5,6)