[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

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