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

Systemtic Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]sulfamoyl]benzoic acid Formula: C20H17BrN2O6S2 MolecularWeight: 525.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O6S2/c1-13-5-8-17(23-30(26,27)18-4-2-3-14(11-18)20(24)25)12-19(13)31(28,29)22-16-9-6-15(21)7-10-16/h2-12,22-23H,1H3,(H,24,25)