ethyl 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H12F3N3O4S MolecularWeight: 363.31229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O4S/c1-2-23-12(20)10-7-17-18-11(10)19-24(21,22)9-5-3-8(4-6-9)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19)