4-[[(4-iodophenyl)sulfonylamino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[(4-iodophenyl)sulfonylamino]methyl]benzenesulfonic acid Openeye Name: 4-[[(4-iodophenyl)sulfonylamino]methyl]benzenesulfonic acid CAS Name: 4-[[(4-iodophenyl)sulfonylamino]methyl]benzenesulfonic acid IUPAC Name: 4-[[(4-iodophenyl)sulfonylamino]methyl]benzenesulfonic acid Traditional Name: 4-[[(4-iodophenyl)sulfonylamino]methyl]besylic acid Formula: C13H12INO5S2 MolecularWeight: 453.27255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)I)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)I)S(=O)(=O)O

InChI

InChI=1S/C13H12INO5S2/c14-11-3-7-12(8-4-11)21(16,17)15-9-10-1-5-13(6-2-10)22(18,19)20/h1-8,15H,9H2,(H,18,19,20)