3-[bis(4-methylphenyl)sulfamoyl]-5-iodanyl-benzoic acid

Systemtic Name: 3-[bis(4-methylphenyl)sulfamoyl]-5-iodanyl-benzoic acid Openeye Name: 3-(bis-p-tolylsulfamoyl)-5-iodo-benzoic acid CAS Name: 3-[bis(4-methylphenyl)sulfamoyl]-5-iodobenzoic acid IUPAC Name: 3-[bis(4-methylphenyl)sulfamoyl]-5-iodobenzoic acid Traditional Name: 3-(bis-p-tolylsulfamoyl)-5-iodo-benzoic acid Formula: C21H18INO4S MolecularWeight: 507.34139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=CC(=C3)C(=O)O)I

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=CC(=C3)C(=O)O)I

InChI

InChI=1S/C21H18INO4S/c1-14-3-7-18(8-4-14)23(19-9-5-15(2)6-10-19)28(26,27)20-12-16(21(24)25)11-17(22)13-20/h3-13H,1-2H3,(H,24,25)