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

Systemtic Name: 2-bromanyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid Formula: C12H11BrN2O5S MolecularWeight: 375.19514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCC1=NOC(=N1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H11BrN2O5S/c1-2-10-14-11(20-15-10)6-21(18,19)7-3-4-9(13)8(5-7)12(16)17/h3-5H,2,6H2,1H3,(H,16,17)