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

Systemtic Name: ethyl 3-[[3-bromanyl-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate CAS Name: 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-4-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylate Traditional Name: 3-[[3-bromo-2-[2-(triflylamino)phenyl]benzofuran-4-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C27H25BrF3N3O5S MolecularWeight: 645.433492

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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)OCC)C5CC5

Isomeric SMILES

CCOC(=O)C1=C([15N]=[13C]([15N]1CC2=C3C(=CC=C2)OC(=C3Br)C4=CC=CC=C4NS(=O)(=O)C(F)(F)F)[13CH2][13CH3])C5CC5

InChI

InChI=1S/C27H25BrF3N3O5S/c1-3-20-32-23(15-12-13-15)24(26(35)38-4-2)34(20)14-16-8-7-11-19-21(16)22(28)25(39-19)17-9-5-6-10-18(17)33-40(36,37)27(29,30)31/h5-11,15,33H,3-4,12-14H2,1-2H3/i1+1,3+1,20+1,32+1,34+1