(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O5S/c1-26(22,23)12-7-8-14(18)13(9-12)17(21)24-10-15-19-16(20-25-15)11-5-3-2-4-6-11/h2-9H,10H2,1H3