tert-butyl 2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: tert-butyl 2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: tert-butyl 2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(triflylamino)methyl]piperidino]sulfonylbenzoic acid tert-butyl ester Formula: C18H25F3N2O6S2 MolecularWeight: 486.52611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)CNS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)CNS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H25F3N2O6S2/c1-17(2,3)29-16(24)14-6-4-5-7-15(14)30(25,26)23-10-8-13(9-11-23)12-22-31(27,28)18(19,20)21/h4-7,13,22H,8-12H2,1-3H3