[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H19F3N2O5S2 MolecularWeight: 488.50047

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19F3N2O5S2/c21-20(22,23)31-16-8-6-15(7-9-16)19(27)30-14-18(26)24-10-12-25(13-11-24)32(28,29)17-4-2-1-3-5-17/h1-9H,10-14H2