6-iodanyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonyl-amino]quinoline-3-carboxylic acid

Systemtic Name: 6-iodanyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonyl-amino]quinoline-3-carboxylic acid Openeye Name: 6-iodo-2-[methyl-[4-(4-pyridyloxy)phenyl]sulfonyl-amino]quinoline-3-carboxylic acid CAS Name: 6-iodo-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-quinolinecarboxylic acid IUPAC Name: 6-iodo-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]quinoline-3-carboxylic acid Traditional Name: 6-iodo-2-[methyl-[4-(4-pyridyloxy)phenyl]sulfonyl-amino]quinoline-3-carboxylic acid Formula: C22H16IN3O5S MolecularWeight: 561.34901

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C2C=C(C=CC2=N1)I)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4

Isomeric SMILES

CN(C1=C(C=C2C=C(C=CC2=N1)I)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4

InChI

InChI=1S/C22H16IN3O5S/c1-26(21-19(22(27)28)13-14-12-15(23)2-7-20(14)25-21)32(29,30)18-5-3-16(4-6-18)31-17-8-10-24-11-9-17/h2-13H,1H3,(H,27,28)