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

Systemtic Name: 3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid Openeye Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]phenyl]-3-bromo-5-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylic acid Traditional Name: 3-[[2-[2-(besylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid Formula: C31H26BrN3O6S MolecularWeight: 648.52364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C31H26BrN3O6S/c1-2-25-33-27(19-13-14-19)28(31(37)38)35(25)17-18-12-15-24-23(16-18)26(32)29(41-24)21-10-6-7-11-22(21)30(36)34-42(39,40)20-8-4-3-5-9-20/h3-12,15-16,19H,2,13-14,17H2,1H3,(H,34,36)(H,37,38)