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

Systemtic Name: tert-butyl 5-chloranyl-2-[4-methyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-methyl-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-methyl-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-methyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-methyl-4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C19H26ClF3N2O6S2 MolecularWeight: 534.99775

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)OC(C)(C)C)CNS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1(CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)OC(C)(C)C)CNS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H26ClF3N2O6S2/c1-17(2,3)31-16(26)14-11-13(20)5-6-15(14)32(27,28)25-9-7-18(4,8-10-25)12-24-33(29,30)19(21,22)23/h5-6,11,24H,7-10,12H2,1-4H3