methyl 3-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]propanoate CAS Name: 3-[[[4-(difluoromethylsulfonyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]propanoate Traditional Name: 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]propionic acid methyl ester Formula: C12H13F2NO5S MolecularWeight: 321.297126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO5S/c1-20-10(16)6-7-15-11(17)8-2-4-9(5-3-8)21(18,19)12(13)14/h2-5,12H,6-7H2,1H3,(H,15,17)