5-iodanyl-2-methoxy-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 5-iodanyl-2-methoxy-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 5-iodo-2-methoxy-4-[methyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 5-iodo-2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-iodo-2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 5-iodo-2-methoxy-4-[methyl(tosyl)amino]benzoic acid Formula: C16H16INO5S MolecularWeight: 461.27141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16INO5S/c1-10-4-6-11(7-5-10)24(21,22)18(2)14-9-15(23-3)12(16(19)20)8-13(14)17/h4-9H,1-3H3,(H,19,20)