[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H24F2N2O6S MolecularWeight: 470.486866

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)F

InChI

InChI=1S/C21H24F2N2O6S/c22-19(23)32(29,30)16-3-1-15(2-4-16)18(27)31-11-17(26)24-20(28)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14,19H,5-11H2,(H2,24,25,26,28)