methyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(difluoromethylsulfonyl)phenyl]-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H17F2NO6S MolecularWeight: 449.424586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C(=O)OC

InChI

InChI=1S/C21H17F2NO6S/c1-12-15-5-3-4-6-16(15)24-17(18(12)20(26)29-2)11-30-19(25)13-7-9-14(10-8-13)31(27,28)21(22)23/h3-10,21H,11H2,1-2H3