[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2O5S/c1-11-3-8-14(27(2,23)24)9-15(11)18(22)25-10-16-20-21-17(26-16)12-4-6-13(19)7-5-12/h3-9H,10H2,1-2H3