3-[(2-chloranyl-4-methylsulfonyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-methylsulfonyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-methylsulfonyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(2-chloro-4-mesyl-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)S(=O)(=O)C)Cl)N=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)S(=O)(=O)C)Cl)N=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14ClN3O4S/c1-9-18-13-5-6-14(16(21)22)19-15(13)20(9)8-10-3-4-11(7-12(10)17)25(2,23)24/h3-7H,8H2,1-2H3,(H,21,22)