3,4-dimethyl-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzoic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C

InChI

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