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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H25F2NO5S MolecularWeight: 441.488706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2NO5S/c22-20(23)30(27,28)17-3-1-16(2-4-17)19(26)29-11-18(25)24-12-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15,20H,5-12H2,(H,24,25)