1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: oxalic acid; 1-piperonyloxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propan-2-ol Formula: C24H27F3N2O10S MolecularWeight: 592.53879

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25F3N2O6S.C2H2O4/c23-22(24,25)17-2-1-3-19(11-17)34(29,30)27-8-6-26(7-9-27)12-18(28)14-31-13-16-4-5-20-21(10-16)33-15-32-20;3-1(4)2(5)6/h1-5,10-11,18,28H,6-9,12-15H2;(H,3,4)(H,5,6)