3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-2-ethyl-N-methyl-imidazole-4-carboxamide

Systemtic Name: 3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-2-ethyl-N-methyl-imidazole-4-carboxamide Openeye Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-chloro-2-ethyl-N-methyl-imidazole-4-carboxamide CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]phenyl]-3-bromo-5-benzofuranyl]methyl]-5-chloro-2-ethyl-N-methyl-4-imidazolecarboxamide IUPAC Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-1-benzofuran-5-yl]methyl]-5-chloro-2-ethyl-N-methylimidazole-4-carboxamide Traditional Name: 3-[[2-[2-(besylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-chloro-2-ethyl-N-methyl-imidazole-4-carboxamide Formula: C29H24BrClN4O5S MolecularWeight: 655.94666

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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)NC)Cl

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)NC)Cl

InChI

InChI=1S/C29H24BrClN4O5S/c1-3-23-33-27(31)25(29(37)32-2)35(23)16-17-13-14-22-21(15-17)24(30)26(40-22)19-11-7-8-12-20(19)28(36)34-41(38,39)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,32,37)(H,34,36)