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

Systemtic Name: 3,4-dimethyl-5-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[(4-methyl-3-sulfamoylphenyl)sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(4-methyl-3-sulfamoylphenyl)sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]benzoic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O6S2/c1-9-4-5-13(8-14(9)25(17,21)22)18-26(23,24)15-7-12(16(19)20)6-10(2)11(15)3/h4-8,18H,1-3H3,(H,19,20)(H2,17,21,22)