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

Systemtic Name: 3-[[3-bromanyl-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-5-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-[2-(triflylamino)phenyl]benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid Formula: C25H21BrF3N3O5S MolecularWeight: 612.41555

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)C(=O)O)C5CC5

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)C(=O)O)C5CC5

InChI

InChI=1S/C25H21BrF3N3O5S/c1-2-19-30-21(14-8-9-14)22(24(33)34)32(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)31-38(35,36)25(27,28)29/h3-7,10-11,14,31H,2,8-9,12H2,1H3,(H,33,34)