ethanedioic acid; N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide

Systemtic Name: ethanedioic acid; N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide Openeye Name: oxalic acid; N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide CAS Name: oxalic acid; N-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]phenyl]methanesulfonamide IUPAC Name: oxalic acid; N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide Traditional Name: oxalic acid; N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]phenyl]methanesulfonamide Formula: C22H26F3N3O6S MolecularWeight: 517.51855

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24F3N3O2S.C2H2O4/c1-29(27,28)24-18-6-2-4-16(14-18)8-9-25-10-12-26(13-11-25)19-7-3-5-17(15-19)20(21,22)23;3-1(4)2(5)6/h2-7,14-15,24H,8-13H2,1H3;(H,3,4)(H,5,6)