[3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H17FN2O6S MolecularWeight: 420.411483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC(=NO2)COC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC(=NO2)COC3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN2O6S/c1-12-3-8-15(29(2,24)25)9-16(12)19(23)27-11-18-21-17(22-28-18)10-26-14-6-4-13(20)5-7-14/h3-9H,10-11H2,1-2H3