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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfonylbenzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic 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 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H22N2O5S/c1-4-29(25,26)18-8-6-5-7-17(18)21(24)27-13-19-22-20(23-28-19)16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3