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

Systemtic Name: 3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-N,2-diethyl-5-methyl-imidazole-4-carboxamide Openeye Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-N,2-diethyl-5-methyl-imidazole-4-carboxamide CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]phenyl]-3-bromo-5-benzofuranyl]methyl]-N,2-diethyl-5-methyl-4-imidazolecarboxamide IUPAC Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-1-benzofuran-5-yl]methyl]-N,2-diethyl-5-methylimidazole-4-carboxamide Traditional Name: 3-[[2-[2-(besylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-N,2-diethyl-5-methyl-imidazole-4-carboxamide Formula: C31H29BrN4O5S MolecularWeight: 649.55476

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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)C

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)C

InChI

InChI=1S/C31H29BrN4O5S/c1-4-26-34-19(3)28(31(38)33-5-2)36(26)18-20-15-16-25-24(17-20)27(32)29(41-25)22-13-9-10-14-23(22)30(37)35-42(39,40)21-11-7-6-8-12-21/h6-17H,4-5,18H2,1-3H3,(H,33,38)(H,35,37)