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

Systemtic Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[3-[(3-carboxyphenyl)sulfamoyl]-4-methyl-phenyl]sulfonylamino]benzoic acid Formula: C21H18N2O8S2 MolecularWeight: 490.50622

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H18N2O8S2/c1-13-8-9-18(32(28,29)22-16-6-2-4-14(10-16)20(24)25)12-19(13)33(30,31)23-17-7-3-5-15(11-17)21(26)27/h2-12,22-23H,1H3,(H,24,25)(H,26,27)