3-propan-2-yl-1-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-propan-2-yl-1-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Openeye Name: 3-isopropyl-1-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid CAS Name: 3-propan-2-yl-1-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-propan-2-yl-1-propyl-5-[[4-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Traditional Name: 3-isopropyl-1-propyl-5-[4-[2-(triflylamino)phenyl]benzyl]pyrazole-4-carboxylic acid Formula: C24H26F3N3O4S MolecularWeight: 509.54115

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C(C)C)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCN1C(=C(C(=N1)C(C)C)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C24H26F3N3O4S/c1-4-13-30-20(21(23(31)32)22(28-30)15(2)3)14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)29-35(33,34)24(25,26)27/h5-12,15,29H,4,13-14H2,1-3H3,(H,31,32)