[4-(trifluoromethylsulfanyl)phenyl]methyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate

Systemtic Name: [4-(trifluoromethylsulfanyl)phenyl]methyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate Openeye Name: [4-(trifluoromethylsulfanyl)phenyl]methyl 4-(benzofuran-2-ylmethyl)piperazine-1-carboxylate CAS Name: 4-(2-benzofuranylmethyl)-1-piperazinecarboxylic acid [4-(trifluoromethylthio)phenyl]methyl ester IUPAC Name: [4-(trifluoromethylsulfanyl)phenyl]methyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(benzofuran-2-ylmethyl)piperazine-1-carboxylic acid [4-(trifluoromethylthio)benzyl] ester Formula: C22H21F3N2O3S MolecularWeight: 450.47395

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C(=O)OCC4=CC=C(C=C4)SC(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C(=O)OCC4=CC=C(C=C4)SC(F)(F)F

InChI

InChI=1S/C22H21F3N2O3S/c23-22(24,25)31-19-7-5-16(6-8-19)15-29-21(28)27-11-9-26(10-12-27)14-18-13-17-3-1-2-4-20(17)30-18/h1-8,13H,9-12,14-15H2