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

Systemtic Name: 3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]phenyl]-3-bromo-5-benzofuranyl]methyl]-5-cyclopropyl-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[[2-[2-(besylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-propyl-imidazole-4-carboxylic acid Formula: C32H28BrN3O6S MolecularWeight: 662.55022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)NS(=O)(=O)C5=CC=CC=C5)C(=O)O)C6CC6

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)NS(=O)(=O)C5=CC=CC=C5)C(=O)O)C6CC6

InChI

InChI=1S/C32H28BrN3O6S/c1-2-8-26-34-28(20-14-15-20)29(32(38)39)36(26)18-19-13-16-25-24(17-19)27(33)30(42-25)22-11-6-7-12-23(22)31(37)35-43(40,41)21-9-4-3-5-10-21/h3-7,9-13,16-17,20H,2,8,14-15,18H2,1H3,(H,35,37)(H,38,39)