4-[(6-iodanylpyridin-3-yl)carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[(6-iodanylpyridin-3-yl)carbonylamino]benzenesulfonic acid Openeye Name: 4-[(6-iodopyridine-3-carbonyl)amino]benzenesulfonic acid CAS Name: 4-[[(6-iodo-3-pyridinyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(6-iodopyridine-3-carbonyl)amino]benzenesulfonic acid Traditional Name: 4-[(6-iodonicotinoyl)amino]besylic acid Formula: C12H9IN2O4S MolecularWeight: 404.18033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)I)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)I)S(=O)(=O)O

InChI

InChI=1S/C12H9IN2O4S/c13-11-6-1-8(7-14-11)12(16)15-9-2-4-10(5-3-9)20(17,18)19/h1-7H,(H,15,16)(H,17,18,19)