methyl 4-(2,4-dimethylimidazol-1-yl)-2-fluoranyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-fluoranyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-fluoro-5-methylsulfonyl-benzoate CAS Name: 4-(2,4-dimethyl-1-imidazolyl)-2-fluoro-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-fluoro-5-methylsulfonylbenzoate Traditional Name: 4-(2,4-dimethylimidazol-1-yl)-2-fluoro-5-mesyl-benzoic acid methyl ester Formula: C14H15FN2O4S MolecularWeight: 326.343303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)F)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)F)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C14H15FN2O4S/c1-8-7-17(9(2)16-8)12-6-11(15)10(14(18)21-3)5-13(12)22(4,19)20/h5-7H,1-4H3