3-[[3-bromanyl-2-[3-iodanyl-2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propyl-imidazole-4-carboxamide

Systemtic Name: 3-[[3-bromanyl-2-[3-iodanyl-2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propyl-imidazole-4-carboxamide Openeye Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)-3-iodo-phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propyl-imidazole-4-carboxamide CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]-3-iodophenyl]-3-bromo-5-benzofuranyl]methyl]-5-cyclopropyl-2-propyl-4-imidazolecarboxamide IUPAC Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)-3-iodophenyl]-3-bromo-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propylimidazole-4-carboxamide Traditional Name: 3-[[2-[2-(besylcarbamoyl)-3-iodo-phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propyl-imidazole-4-carboxamide Formula: C32H28BrIN4O5S MolecularWeight: 787.46199

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=C(C(=CC=C4)I)C(=O)NS(=O)(=O)C5=CC=CC=C5)C(=O)N)C6CC6

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=C(C(=CC=C4)I)C(=O)NS(=O)(=O)C5=CC=CC=C5)C(=O)N)C6CC6

InChI

InChI=1S/C32H28BrIN4O5S/c1-2-7-25-36-28(19-13-14-19)29(31(35)39)38(25)17-18-12-15-24-22(16-18)27(33)30(43-24)21-10-6-11-23(34)26(21)32(40)37-44(41,42)20-8-4-3-5-9-20/h3-6,8-12,15-16,19H,2,7,13-14,17H2,1H3,(H2,35,39)(H,37,40)