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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O5S/c1-12-5-3-4-6-15(12)17-19-16(25-20-17)11-24-18(21)13-7-9-14(10-8-13)26(2,22)23/h3-10H,11H2,1-2H3