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

Systemtic Name: tert-butyl 5-chloranyl-2-[4-propyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-propyl-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-propyl-4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-propyl-4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-propyl-4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C21H30ClF3N2O6S2 MolecularWeight: 563.05091

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(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

CCCC1(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/C21H30ClF3N2O6S2/c1-5-8-20(14-26-35(31,32)21(23,24)25)9-11-27(12-10-20)34(29,30)17-7-6-15(22)13-16(17)18(28)33-19(2,3)4/h6-7,13,26H,5,8-12,14H2,1-4H3