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

Systemtic Name: propan-2-yl 5-chloranyl-2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonyl-benzoate Openeye Name: isopropyl 5-chloro-2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-[(trifluoromethylsulfonylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-chloro-2-[4-[(trifluoromethylsulfonylamino)methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-[(triflylamino)methyl]piperidino]sulfonyl-benzoic acid isopropyl ester Formula: C17H22ClF3N2O6S2 MolecularWeight: 506.94459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClF3N2O6S2/c1-11(2)29-16(24)14-9-13(18)3-4-15(14)30(25,26)23-7-5-12(6-8-23)10-22-31(27,28)17(19,20)21/h3-4,9,11-12,22H,5-8,10H2,1-2H3