ethyl 5-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[2-propoxy-5-(trifluoromethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H18F3N3O5S MolecularWeight: 421.39143

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=C(C=NN2)C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=C(C=NN2)C(=O)OCC

InChI

InChI=1S/C16H18F3N3O5S/c1-3-7-27-13-6-5-10(16(17,18)19)8-12(13)22-28(24,25)14-11(9-20-21-14)15(23)26-4-2/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,20,21)