[4-(trifluoromethylsulfanyl)phenyl]methyl 4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: [4-(trifluoromethylsulfanyl)phenyl]methyl 4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: [4-(trifluoromethylsulfanyl)phenyl]methyl 4-(3-fluoro-4-methoxy-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperazinecarboxylic acid [4-(trifluoromethylthio)phenyl]methyl ester IUPAC Name: [4-(trifluoromethylsulfanyl)phenyl]methyl 4-(3-fluoro-4-methoxybenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-fluoro-4-methoxy-benzoyl)piperazine-1-carboxylic acid [4-(trifluoromethylthio)benzyl] ester Formula: C21H20F4N2O4S MolecularWeight: 472.453113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC3=CC=C(C=C3)SC(F)(F)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC3=CC=C(C=C3)SC(F)(F)F)F

InChI

InChI=1S/C21H20F4N2O4S/c1-30-18-7-4-15(12-17(18)22)19(28)26-8-10-27(11-9-26)20(29)31-13-14-2-5-16(6-3-14)32-21(23,24)25/h2-7,12H,8-11,13H2,1H3