2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[3-(trifluoromethylsulfanyl)phenyl]amino]benzoate dihydrochloride

Systemtic Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[3-(trifluoromethylsulfanyl)phenyl]amino]benzoate dihydrochloride Openeye Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]benzoate dihydrochloride CAS Name: 2-[3-(trifluoromethylthio)anilino]benzoic acid 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester dihydrochloride IUPAC Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]benzoate dihydrochloride Traditional Name: 2-[3-(trifluoromethylthio)anilino]benzoic acid 2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl ester dihydrochloride Formula: C27H27Cl2F6N3O2S MolecularWeight: 642.483599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=CC(=CC=C3)SC(F)(F)F)C4=CC=CC(=C4)C(F)(F)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=CC(=CC=C3)SC(F)(F)F)C4=CC=CC(=C4)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C27H25F6N3O2S.2ClH/c28-26(29,30)19-5-3-7-21(17-19)36-13-11-35(12-14-36)15-16-38-25(37)23-9-1-2-10-24(23)34-20-6-4-8-22(18-20)39-27(31,32)33;;/h1-10,17-18,34H,11-16H2;2*1H