2-ethyl-5-propyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-ethyl-5-propyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Openeye Name: 2-ethyl-5-propyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid CAS Name: 2-ethyl-5-propyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-ethyl-5-propyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Traditional Name: 2-ethyl-5-propyl-4-[4-[2-(triflylamino)phenyl]benzyl]pyrazole-3-carboxylic acid Formula: C23H24F3N3O4S MolecularWeight: 495.51457

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)O)CC

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)O)CC

InChI

InChI=1S/C23H24F3N3O4S/c1-3-7-19-18(21(22(30)31)29(4-2)27-19)14-15-10-12-16(13-11-15)17-8-5-6-9-20(17)28-34(32,33)23(24,25)26/h5-6,8-13,28H,3-4,7,14H2,1-2H3,(H,30,31)