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

Systemtic Name: methyl 4-(4-methylimidazol-1-yl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate Openeye Name: methyl 4-(4-methylimidazol-1-yl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate CAS Name: 4-(4-methyl-1-imidazolyl)-5-methylsulfonyl-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylimidazol-1-yl)-5-methylsulfonyl-2-(trifluoromethyl)benzoate Traditional Name: 5-mesyl-4-(4-methylimidazol-1-yl)-2-(trifluoromethyl)benzoic acid methyl ester Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O4S/c1-8-6-19(7-18-8)11-5-10(14(15,16)17)9(13(20)23-2)4-12(11)24(3,21)22/h4-7H,1-3H3