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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C14H17F2NO5S MolecularWeight: 349.350286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

InChI

InChI=1S/C14H17F2NO5S/c1-2-3-8-17-12(18)9-22-13(19)10-4-6-11(7-5-10)23(20,21)14(15)16/h4-7,14H,2-3,8-9H2,1H3,(H,17,18)