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

Systemtic Name: 5-butyl-2-ethyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Openeye Name: 5-butyl-2-ethyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid CAS Name: 5-butyl-2-ethyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-2-ethyl-4-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Traditional Name: 5-butyl-2-ethyl-4-[4-[2-(triflylamino)phenyl]benzyl]pyrazole-3-carboxylic acid Formula: C24H26F3N3O4S MolecularWeight: 509.54115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)O)CC

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F)C(=O)O)CC

InChI

InChI=1S/C24H26F3N3O4S/c1-3-5-9-20-19(22(23(31)32)30(4-2)28-20)15-16-11-13-17(14-12-16)18-8-6-7-10-21(18)29-35(33,34)24(25,26)27/h6-8,10-14,29H,3-5,9,15H2,1-2H3,(H,31,32)