(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O5S/c1-25(21,22)14-9-7-13(8-10-14)17(20)23-11-15-18-16(19-24-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3