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

Systemtic Name: tert-butyl 5-chloranyl-2-[4-methoxy-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-methoxy-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-methoxy-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-methoxy-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-methoxy-4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C19H26ClF3N2O7S2 MolecularWeight: 550.99715

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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)OC

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)OC

InChI

InChI=1S/C19H26ClF3N2O7S2/c1-17(2,3)32-16(26)14-11-13(20)5-6-15(14)33(27,28)25-9-7-18(31-4,8-10-25)12-24-34(29,30)19(21,22)23/h5-6,11,24H,7-10,12H2,1-4H3