[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O5S/c1-13(2)14-4-6-15(7-5-14)19-21-18(27-22-19)12-26-20(23)16-8-10-17(11-9-16)28(3,24)25/h4-11,13H,12H2,1-3H3