3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbonyl-2-ethyl-N-[4-(phenylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide

Systemtic Name: 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbonyl-2-ethyl-N-[4-(phenylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide Openeye Name: 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-N-[4-(phenylsulfamoyl)phenyl]benzofuran-6-sulfonamide CAS Name: 3-[(3,5-dibromo-4-hydroxyphenyl)-oxomethyl]-2-ethyl-N-[4-(phenylsulfamoyl)phenyl]-6-benzofuransulfonamide IUPAC Name: 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-(phenylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide Traditional Name: 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-N-[4-(phenylsulfamoyl)phenyl]benzofuran-6-sulfonamide Formula: C29H22Br2N2O7S2 MolecularWeight: 734.43218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(O1)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C(=O)C5=CC(=C(C(=C5)Br)O)Br

Isomeric SMILES

CCC1=C(C2=C(O1)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C(=O)C5=CC(=C(C(=C5)Br)O)Br

InChI

InChI=1S/C29H22Br2N2O7S2/c1-2-25-27(28(34)17-14-23(30)29(35)24(31)15-17)22-13-12-21(16-26(22)40-25)42(38,39)33-19-8-10-20(11-9-19)41(36,37)32-18-6-4-3-5-7-18/h3-16,32-33,35H,2H2,1H3