6-[3-(6-carboxypyridin-2-yl)carbonyl-2-chloranyl-4,6-disulfamoyl-phenyl]carbonylpyridine-2-carboxylic acid

Systemtic Name: 6-[3-(6-carboxypyridin-2-yl)carbonyl-2-chloranyl-4,6-disulfamoyl-phenyl]carbonylpyridine-2-carboxylic acid Openeye Name: 6-[3-(6-carboxypyridine-2-carbonyl)-2-chloro-4,6-disulfamoyl-benzoyl]pyridine-2-carboxylic acid CAS Name: 6-[[3-[(6-carboxy-2-pyridinyl)-oxomethyl]-2-chloro-4,6-disulfamoylphenyl]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[3-(6-carboxypyridine-2-carbonyl)-2-chloro-4,6-disulfamoylbenzoyl]pyridine-2-carboxylic acid Traditional Name: 6-[3-(6-carboxypicolinoyl)-2-chloro-4,6-disulfamoyl-benzoyl]picolinic acid Formula: C20H13ClN4O10S2 MolecularWeight: 568.92102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)C(=O)O)C(=O)C2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)C(=O)C3=NC(=CC=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=NC(=C1)C(=O)O)C(=O)C2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)C(=O)C3=NC(=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C20H13ClN4O10S2/c21-16-14(17(26)8-3-1-5-10(24-8)19(28)29)12(36(22,32)33)7-13(37(23,34)35)15(16)18(27)9-4-2-6-11(25-9)20(30)31/h1-7H,(H,28,29)(H,30,31)(H2,22,32,33)(H2,23,34,35)