[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NN=C(O2)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NN=C(O2)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H20N2O5S/c1-14-6-8-17(9-7-14)28(24,25)11-10-19(23)26-13-18-21-22-20(27-18)16-5-3-4-15(2)12-16/h3-9,12H,10-11,13H2,1-2H3