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

Systemtic Name: tert-butyl 5-chloranyl-2-[4-oxidanyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-hydroxy-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-hydroxy-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-hydroxy-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-hydroxy-4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C18H24ClF3N2O7S2 MolecularWeight: 536.97057

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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)O

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)O

InChI

InChI=1S/C18H24ClF3N2O7S2/c1-16(2,3)31-15(25)13-10-12(19)4-5-14(13)32(27,28)24-8-6-17(26,7-9-24)11-23-33(29,30)18(20,21)22/h4-5,10,23,26H,6-9,11H2,1-3H3