ethanedioic acid; 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine

Systemtic Name: ethanedioic acid; 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine Openeye Name: 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine; oxalic acid CAS Name: 1-methyl-4-[2-[[2-(trifluoromethyl)phenyl]thio]phenoxy]piperidine; oxalic acid IUPAC Name: 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine; oxalic acid Traditional Name: 1-methyl-4-[2-[[2-(trifluoromethyl)phenyl]thio]phenoxy]piperidine; oxalic acid Formula: C21H22F3NO5S MolecularWeight: 457.46329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=CC=CC=C2SC3=CC=CC=C3C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)OC2=CC=CC=C2SC3=CC=CC=C3C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20F3NOS.C2H2O4/c1-23-12-10-14(11-13-23)24-16-7-3-5-9-18(16)25-17-8-4-2-6-15(17)19(20,21)22;3-1(4)2(5)6/h2-9,14H,10-13H2,1H3;(H,3,4)(H,5,6)