ethyl 5-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H11BrF3N3O5S MolecularWeight: 458.20775

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C13H11BrF3N3O5S/c1-2-24-12(21)8-6-18-19-11(8)20-26(22,23)10-4-3-7(14)5-9(10)25-13(15,16)17/h3-6H,2H2,1H3,(H2,18,19,20)