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

Systemtic Name: 3-[[3-bromanyl-2-[2-(phenylsulfonylcarbamoyl)phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-N-ethyl-2-propyl-imidazole-4-carboxamide Openeye Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-chloro-N-ethyl-2-propyl-imidazole-4-carboxamide CAS Name: 3-[[2-[2-[benzenesulfonamido(oxo)methyl]phenyl]-3-bromo-5-benzofuranyl]methyl]-5-chloro-N-ethyl-2-propyl-4-imidazolecarboxamide IUPAC Name: 3-[[2-[2-(benzenesulfonylcarbamoyl)phenyl]-3-bromo-1-benzofuran-5-yl]methyl]-5-chloro-N-ethyl-2-propylimidazole-4-carboxamide Traditional Name: 3-[[2-[2-(besylcarbamoyl)phenyl]-3-bromo-benzofuran-5-yl]methyl]-5-chloro-N-ethyl-2-propyl-imidazole-4-carboxamide Formula: C31H28BrClN4O5S MolecularWeight: 683.99982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)NS(=O)(=O)C5=CC=CC=C5)C(=O)NCC)Cl

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)NS(=O)(=O)C5=CC=CC=C5)C(=O)NCC)Cl

InChI

InChI=1S/C31H28BrClN4O5S/c1-3-10-25-35-29(33)27(31(39)34-4-2)37(25)18-19-15-16-24-23(17-19)26(32)28(42-24)21-13-8-9-14-22(21)30(38)36-43(40,41)20-11-6-5-7-12-20/h5-9,11-17H,3-4,10,18H2,1-2H3,(H,34,39)(H,36,38)