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

Systemtic Name: 3-[[3-bromanyl-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxamide Openeye Name: 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxamide CAS Name: 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-4-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxamide IUPAC Name: 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxamide Traditional Name: 3-[[3-bromo-2-[2-(triflylamino)phenyl]benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxamide Formula: C25H22BrF3N4O4S MolecularWeight: 616.395572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=C3C(=CC=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)C(=O)N)C5CC5

Isomeric SMILES

[13CH3][13CH2][13C]1=[15N]C(=C([15N]1CC2=C3C(=CC=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)C(=O)N)C5CC5

InChI

InChI=1S/C25H22BrF3N4O4S/c1-2-18-31-21(13-10-11-13)22(24(30)34)33(18)12-14-6-5-9-17-19(14)20(26)23(37-17)15-7-3-4-8-16(15)32-38(35,36)25(27,28)29/h3-9,13,32H,2,10-12H2,1H3,(H2,30,34)/i1+1,2+1,18+1,31+1,33+1