3-[[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]sulfamoyl]benzoic acid Formula: C22H21BrN2O7S2 MolecularWeight: 569.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C)Br

InChI

InChI=1S/C22H21BrN2O7S2/c1-3-32-20-10-9-16(12-19(20)23)25-34(30,31)21-13-17(8-7-14(21)2)24-33(28,29)18-6-4-5-15(11-18)22(26)27/h4-13,24-25H,3H2,1-2H3,(H,26,27)