methyl 2-fluoranyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoate

Systemtic Name: methyl 2-fluoranyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoate Openeye Name: methyl 2-fluoro-5-methylsulfonyl-4-pyrrol-1-yl-benzoate CAS Name: 2-fluoro-5-methylsulfonyl-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-methylsulfonyl-4-pyrrol-1-ylbenzoate Traditional Name: 2-fluoro-5-mesyl-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C13H12FNO4S MolecularWeight: 297.302083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)N2C=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)N2C=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C13H12FNO4S/c1-19-13(16)9-7-12(20(2,17)18)11(8-10(9)14)15-5-3-4-6-15/h3-8H,1-2H3