methyl 2-(fluoranylmethyl)-5-methylsulfonyl-4-pyrrol-1-yl-benzoate

Systemtic Name: methyl 2-(fluoranylmethyl)-5-methylsulfonyl-4-pyrrol-1-yl-benzoate Openeye Name: methyl 2-(fluoromethyl)-5-methylsulfonyl-4-pyrrol-1-yl-benzoate CAS Name: 2-(fluoromethyl)-5-methylsulfonyl-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-(fluoromethyl)-5-methylsulfonyl-4-pyrrol-1-ylbenzoate Traditional Name: 2-(fluoromethyl)-5-mesyl-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C14H14FNO4S MolecularWeight: 311.328663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1CF)N2C=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1CF)N2C=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H14FNO4S/c1-20-14(17)11-8-13(21(2,18)19)12(7-10(11)9-15)16-5-3-4-6-16/h3-8H,9H2,1-2H3