2-[(4-bromanylpyrazol-1-yl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(4-bromanylpyrazol-1-yl)methylsulfonyl]ethanoate Openeye Name: 2-[(4-bromopyrazol-1-yl)methylsulfonyl]acetate CAS Name: 2-[(4-bromo-1-pyrazolyl)methylsulfonyl]acetate IUPAC Name: 2-[(4-bromopyrazol-1-yl)methylsulfonyl]acetate Traditional Name: 2-[(4-bromopyrazol-1-yl)methylsulfonyl]acetate Formula: C6H6BrN2O4S- MolecularWeight: 282.09184

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CS(=O)(=O)CC(=O)[O-])Br

Isomeric SMILES

C1=C(C=NN1CS(=O)(=O)CC(=O)[O-])Br

InChI

InChI=1S/C6H7BrN2O4S/c7-5-1-8-9(2-5)4-14(12,13)3-6(10)11/h1-2H,3-4H2,(H,10,11)/p-1