2-[[3-[(4-carboxyphenyl)sulfamoyl]-4-methyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]-4-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]-4-methyl-benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[(4-carboxyphenyl)sulfamoyl]-4-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid Traditional Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]-4-methyl-benzoyl]amino]benzoic acid Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H18N2O7S/c1-13-6-7-15(20(25)23-18-5-3-2-4-17(18)22(28)29)12-19(13)32(30,31)24-16-10-8-14(9-11-16)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)(H,28,29)