2-phenyl-2-[[5-[2,2,2-tris(fluoranyl)ethylsulfanyl]-2,3-dihydro-1-benzofuran-7-yl]methyl]piperidin-1-amine

Systemtic Name: 2-phenyl-2-[[5-[2,2,2-tris(fluoranyl)ethylsulfanyl]-2,3-dihydro-1-benzofuran-7-yl]methyl]piperidin-1-amine Openeye Name: 2-phenyl-2-[[5-(2,2,2-trifluoroethylsulfanyl)-2,3-dihydrobenzofuran-7-yl]methyl]piperidin-1-amine CAS Name: 2-phenyl-2-[[5-(2,2,2-trifluoroethylthio)-2,3-dihydrobenzofuran-7-yl]methyl]-1-piperidinamine IUPAC Name: 2-phenyl-2-[[5-(2,2,2-trifluoroethylsulfanyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]piperidin-1-amine Traditional Name: [2-phenyl-2-[[5-(2,2,2-trifluoroethylthio)coumaran-7-yl]methyl]piperidino]amine Formula: C22H25F3N2OS MolecularWeight: 422.50691

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(CC2=C3C(=CC(=C2)SCC(F)(F)F)CCO3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCN(C(C1)(CC2=C3C(=CC(=C2)SCC(F)(F)F)CCO3)C4=CC=CC=C4)N

InChI

InChI=1S/C22H25F3N2OS/c23-22(24,25)15-29-19-12-16-8-11-28-20(16)17(13-19)14-21(9-4-5-10-27(21)26)18-6-2-1-3-7-18/h1-3,6-7,12-13H,4-5,8-11,14-15,26H2