methyl 2-[bis(fluoranyl)methyl]-5-methylsulfonyl-4-pyrrol-1-yl-benzoate

Systemtic Name: methyl 2-[bis(fluoranyl)methyl]-5-methylsulfonyl-4-pyrrol-1-yl-benzoate Openeye Name: methyl 2-(difluoromethyl)-5-methylsulfonyl-4-pyrrol-1-yl-benzoate CAS Name: 2-(difluoromethyl)-5-methylsulfonyl-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-(difluoromethyl)-5-methylsulfonyl-4-pyrrol-1-ylbenzoate Traditional Name: 2-(difluoromethyl)-5-mesyl-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C14H13F2NO4S MolecularWeight: 329.319126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(F)F)N2C=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(F)F)N2C=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H13F2NO4S/c1-21-14(18)10-8-12(22(2,19)20)11(7-9(10)13(15)16)17-5-3-4-6-17/h3-8,13H,1-2H3