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

Systemtic Name: 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[4-methyl-3-(m-tolylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-methyl-3-(m-tolylsulfamoyl)phenyl]sulfamoyl]benzoic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H20N2O6S2/c1-14-4-3-5-17(12-14)23-31(28,29)20-13-18(9-6-15(20)2)22-30(26,27)19-10-7-16(8-11-19)21(24)25/h3-13,22-23H,1-2H3,(H,24,25)