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

Systemtic Name: ethyl 3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]phenyl]-3-bromo-5-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylate Traditional Name: 3-[[2-[2-(besylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C33H30BrN3O6S MolecularWeight: 676.5768

Click to see the large picture

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)OCC)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)OCC)C6CC6

InChI

InChI=1S/C33H30BrN3O6S/c1-3-27-35-29(21-15-16-21)30(33(39)42-4-2)37(27)19-20-14-17-26-25(18-20)28(34)31(43-26)23-12-8-9-13-24(23)32(38)36-44(40,41)22-10-6-5-7-11-22/h5-14,17-18,21H,3-4,15-16,19H2,1-2H3,(H,36,38)