methyl 3-[4-[3-oxidanylidene-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-[3-oxidanylidene-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[1-oxo-6-(trifluoromethylsulfonyloxy)isoindolin-2-yl]cyclohexyl]propanoate CAS Name: 3-[4-[3-oxo-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-oxo-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]cyclohexyl]propanoate Traditional Name: 3-[4-(1-keto-6-triflyloxy-isoindolin-2-yl)cyclohexyl]propionic acid methyl ester Formula: C19H22F3NO6S MolecularWeight: 449.44129

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H22F3NO6S/c1-28-17(24)9-4-12-2-6-14(7-3-12)23-11-13-5-8-15(10-16(13)18(23)25)29-30(26,27)19(20,21)22/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3