methyl 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanoate Openeye Name: methyl 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanoate CAS Name: 3-[4-[3-(trifluoromethylthio)phenyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanoate Traditional Name: 3-[4-[3-(trifluoromethylthio)phenyl]piperazino]propionic acid methyl ester Formula: C15H19F3N2O2S MolecularWeight: 348.38377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C2=CC(=CC=C2)SC(F)(F)F

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C2=CC(=CC=C2)SC(F)(F)F

InChI

InChI=1S/C15H19F3N2O2S/c1-22-14(21)5-6-19-7-9-20(10-8-19)12-3-2-4-13(11-12)23-15(16,17)18/h2-4,11H,5-10H2,1H3