4-[[3-bromanyl-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[3-bromanyl-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carboxylic acid Openeye Name: 4-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carboxylic acid CAS Name: 4-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-5-benzofuranyl]methyl]-2-butyl-5-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-ethylpyrazole-3-carboxylic acid Traditional Name: 4-[[3-bromo-2-[2-(triflylamino)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carboxylic acid Formula: C26H25BrF3N3O5S MolecularWeight: 628.45801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)CC)CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCN1C(=C(C(=N1)CC)CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C26H25BrF3N3O5S/c1-3-5-12-33-23(25(34)35)17(19(4-2)31-33)13-15-10-11-21-18(14-15)22(27)24(38-21)16-8-6-7-9-20(16)32-39(36,37)26(28,29)30/h6-11,14,32H,3-5,12-13H2,1-2H3,(H,34,35)