tert-butyl 5-chloranyl-2-[4-fluoranyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: tert-butyl 5-chloranyl-2-[4-fluoranyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-fluoro-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-fluoro-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-fluoro-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-fluoro-4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C18H23ClF4N2O6S2 MolecularWeight: 538.961633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CNS(=O)(=O)C(F)(F)F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CNS(=O)(=O)C(F)(F)F)F

InChI

InChI=1S/C18H23ClF4N2O6S2/c1-16(2,3)31-15(26)13-10-12(19)4-5-14(13)32(27,28)25-8-6-17(20,7-9-25)11-24-33(29,30)18(21,22)23/h4-5,10,24H,6-9,11H2,1-3H3