ethanedioic acid; 1-phenylmethoxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-phenylmethoxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-benzyloxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-phenylmethoxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: oxalic acid; 1-phenylmethoxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-benzoxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propan-2-ol; oxalic acid Formula: C23H27F3N2O8S MolecularWeight: 548.52929

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25F3N2O4S.C2H2O4/c22-21(23,24)18-7-4-8-20(13-18)31(28,29)26-11-9-25(10-12-26)14-19(27)16-30-15-17-5-2-1-3-6-17;3-1(4)2(5)6/h1-8,13,19,27H,9-12,14-16H2;(H,3,4)(H,5,6)