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

Systemtic Name: tert-butyl 5-chloranyl-2-[4-[2-(trifluoromethylsulfonylamino)propan-2-yl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-[1-methyl-1-(trifluoromethylsulfonylamino)ethyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-[2-(trifluoromethylsulfonylamino)propan-2-yl]-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-[2-(trifluoromethylsulfonylamino)propan-2-yl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-[1-methyl-1-(triflylamino)ethyl]piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C20H28ClF3N2O6S2 MolecularWeight: 549.02433

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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)C(C)(C)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)C(C)(C)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H28ClF3N2O6S2/c1-18(2,3)32-17(27)15-12-14(21)6-7-16(15)33(28,29)26-10-8-13(9-11-26)19(4,5)25-34(30,31)20(22,23)24/h6-7,12-13,25H,8-11H2,1-5H3