6-[[3-[(6-carboxypyridin-2-yl)carbonylamino]-2-chloranyl-4,6-disulfamoyl-phenyl]carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[[3-[(6-carboxypyridin-2-yl)carbonylamino]-2-chloranyl-4,6-disulfamoyl-phenyl]carbamoyl]pyridine-2-carboxylic acid Openeye Name: 6-[[3-[(6-carboxypyridine-2-carbonyl)amino]-2-chloro-4,6-disulfamoyl-phenyl]carbamoyl]pyridine-2-carboxylic acid CAS Name: 6-[[3-[[(6-carboxy-2-pyridinyl)-oxomethyl]amino]-2-chloro-4,6-disulfamoylanilino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[[3-[(6-carboxypyridine-2-carbonyl)amino]-2-chloro-4,6-disulfamoylphenyl]carbamoyl]pyridine-2-carboxylic acid Traditional Name: 6-[[3-[(6-carboxypicolinoyl)amino]-2-chloro-4,6-disulfamoyl-phenyl]carbamoyl]picolinic acid Formula: C20H15ClN6O10S2 MolecularWeight: 598.9503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)C(=O)O)C(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)NC(=O)C3=NC(=CC=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=NC(=C1)C(=O)O)C(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)NC(=O)C3=NC(=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C20H15ClN6O10S2/c21-14-15(26-17(28)8-3-1-5-10(24-8)19(30)31)12(38(22,34)35)7-13(39(23,36)37)16(14)27-18(29)9-4-2-6-11(25-9)20(32)33/h1-7H,(H,26,28)(H,27,29)(H,30,31)(H,32,33)(H2,22,34,35)(H2,23,36,37)