[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate CAS Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-fluoro-5-(methylsulfamoyl)benzoate Traditional Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC)F

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC)F

InChI

InChI=1S/C21H26FNO5S/c1-12(19(24)21-9-13-5-14(10-21)7-15(6-13)11-21)28-20(25)17-8-16(3-4-18(17)22)29(26,27)23-2/h3-4,8,12-15,23H,5-7,9-11H2,1-2H3