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

Systemtic Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methyl-benzoyl]amino]benzoic acid CAS Name: 3-[[[3-[(3-carboxyphenyl)sulfamoyl]-4-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid Traditional Name: 3-[[3-[(3-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(=C2)C(=O)O)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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