2-bromanyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid Formula: C11H9BrN2O5S MolecularWeight: 361.16856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=NC(=NO1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C11H9BrN2O5S/c1-6-13-10(14-19-6)5-20(17,18)7-2-3-9(12)8(4-7)11(15)16/h2-4H,5H2,1H3,(H,15,16)