3-[2-chloranyl-5-(phenylmethyl)sulfonyl-phenyl]-2-oxidanylidene-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[2-chloranyl-5-(phenylmethyl)sulfonyl-phenyl]-2-oxidanylidene-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-(5-benzylsulfonyl-2-chloro-phenyl)-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[2-chloro-5-(phenylmethyl)sulfonylphenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid IUPAC Name: 3-(5-benzylsulfonyl-2-chlorophenyl)-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(5-benzylsulfonyl-2-chloro-phenyl)-2-keto-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C20H14ClN3O5S MolecularWeight: 443.86026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=C(C=C2)Cl)N3C4=C(C=CC(=N4)C(=O)O)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=C(C=C2)Cl)N3C4=C(C=CC(=N4)C(=O)O)NC3=O

InChI

InChI=1S/C20H14ClN3O5S/c21-14-7-6-13(30(28,29)11-12-4-2-1-3-5-12)10-17(14)24-18-15(23-20(24)27)8-9-16(22-18)19(25)26/h1-10H,11H2,(H,23,27)(H,25,26)