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

Systemtic Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4,5-dimethyl-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4,5-dimethyl-benzoyl]amino]benzoic acid CAS Name: 3-[[[3-[(3-carboxyphenyl)sulfamoyl]-4,5-dimethylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4,5-dimethylbenzoyl]amino]benzoic acid Traditional Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4,5-dimethyl-benzoyl]amino]benzoic acid Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O7S/c1-13-9-17(21(26)24-18-7-3-5-15(10-18)22(27)28)12-20(14(13)2)33(31,32)25-19-8-4-6-16(11-19)23(29)30/h3-12,25H,1-2H3,(H,24,26)(H,27,28)(H,29,30)