3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-N,2-diethyl-imidazole-4-carboxamide

Systemtic Name: 3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-N,2-diethyl-imidazole-4-carboxamide Openeye Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-N,2-diethyl-imidazole-4-carboxamide CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]phenyl]-3-bromo-5-benzofuranyl]methyl]-5-cyclopropyl-N,2-diethyl-4-imidazolecarboxamide IUPAC Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-1-benzofuran-5-yl]methyl]-5-cyclopropyl-N,2-diethylimidazole-4-carboxamide Traditional Name: 3-[[2-[2-(besylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-cyclopropyl-N,2-diethyl-imidazole-4-carboxamide Formula: C33H31BrN4O5S MolecularWeight: 675.59204

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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)NCC)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)NCC)C6CC6

InChI

InChI=1S/C33H31BrN4O5S/c1-3-27-36-29(21-15-16-21)30(33(40)35-4-2)38(27)19-20-14-17-26-25(18-20)28(34)31(43-26)23-12-8-9-13-24(23)32(39)37-44(41,42)22-10-6-5-7-11-22/h5-14,17-18,21H,3-4,15-16,19H2,1-2H3,(H,35,40)(H,37,39)