(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 2-bromanylbenzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 2-bromanylbenzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 2-bromobenzoate CAS Name: 2-bromobenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C11H10BrN3O4S MolecularWeight: 360.1838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=CC=CC=C2Br)N

Isomeric SMILES

CS(=O)(=O)N1C(=CC(=N1)OC(=O)C2=CC=CC=C2Br)N

InChI

InChI=1S/C11H10BrN3O4S/c1-20(17,18)15-9(13)6-10(14-15)19-11(16)7-4-2-3-5-8(7)12/h2-6H,13H2,1H3