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

Systemtic Name: cyclobutyl 5-chloranyl-2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: cyclobutyl 5-chloro-2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid cyclobutyl ester IUPAC Name: cyclobutyl 5-chloro-2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid cyclobutyl ester Formula: C18H22ClF3N2O6S2 MolecularWeight: 518.95529

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)OC(=O)C2=C(C=CC(=C2)Cl)S(=O)(=O)N3CCC(CC3)CNS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC(C1)OC(=O)C2=C(C=CC(=C2)Cl)S(=O)(=O)N3CCC(CC3)CNS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H22ClF3N2O6S2/c19-13-4-5-16(15(10-13)17(25)30-14-2-1-3-14)31(26,27)24-8-6-12(7-9-24)11-23-32(28,29)18(20,21)22/h4-5,10,12,14,23H,1-3,6-9,11H2