methyl 4-imidazol-1-yl-5-methylsulfonyl-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-imidazol-1-yl-5-methylsulfonyl-2-(trifluoromethyl)benzoate Openeye Name: methyl 4-imidazol-1-yl-5-methylsulfonyl-2-(trifluoromethyl)benzoate CAS Name: 4-(1-imidazolyl)-5-methylsulfonyl-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-5-methylsulfonyl-2-(trifluoromethyl)benzoate Traditional Name: 4-imidazol-1-yl-5-mesyl-2-(trifluoromethyl)benzoic acid methyl ester Formula: C13H11F3N2O4S MolecularWeight: 348.29765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2O4S/c1-22-12(19)8-5-11(23(2,20)21)10(18-4-3-17-7-18)6-9(8)13(14,15)16/h3-7H,1-2H3