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

Systemtic Name: [3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H17FN2O5S MolecularWeight: 404.412083

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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)C3=CC(=C(C=C3)C)F

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O5S/c1-11-5-7-14(28(3,24)25)9-15(11)19(23)26-10-17-21-18(22-27-17)13-6-4-12(2)16(20)8-13/h4-9H,10H2,1-3H3