3-[[3-[(3-carboxylatophenyl)sulfamoyl]-4-methyl-phenyl]sulfonylamino]benzoate

Systemtic Name: 3-[[3-[(3-carboxylatophenyl)sulfamoyl]-4-methyl-phenyl]sulfonylamino]benzoate Openeye Name: 3-[[3-[(3-carboxylatophenyl)sulfamoyl]-4-methyl-phenyl]sulfonylamino]benzoate CAS Name: 3-[[3-[(3-carboxylatophenyl)sulfamoyl]-4-methylphenyl]sulfonylamino]benzoate IUPAC Name: 3-[[3-[(3-carboxylatophenyl)sulfamoyl]-4-methylphenyl]sulfonylamino]benzoate Traditional Name: 3-[[3-[(3-carboxylatophenyl)sulfamoyl]-4-methyl-phenyl]sulfonylamino]benzoate Formula: C21H16N2O8S2-2 MolecularWeight: 488.49034

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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)/p-2