5-[(5-chloranylpyridin-2-yl)carbamoyl]-2-ethylsulfonyl-1-methyl-imidazole-4-carboxylic acid

Systemtic Name: 5-[(5-chloranylpyridin-2-yl)carbamoyl]-2-ethylsulfonyl-1-methyl-imidazole-4-carboxylic acid Openeye Name: 5-[(5-chloro-2-pyridyl)carbamoyl]-2-ethylsulfonyl-1-methyl-imidazole-4-carboxylic acid CAS Name: 5-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-2-ethylsulfonyl-1-methyl-4-imidazolecarboxylic acid IUPAC Name: 5-[(5-chloropyridin-2-yl)carbamoyl]-2-ethylsulfonyl-1-methylimidazole-4-carboxylic acid Traditional Name: 5-[(5-chloro-2-pyridyl)carbamoyl]-2-esyl-1-methyl-imidazole-4-carboxylic acid Formula: C13H13ClN4O5S MolecularWeight: 372.78412

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC(=C(N1C)C(=O)NC2=NC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=NC(=C(N1C)C(=O)NC2=NC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN4O5S/c1-3-24(22,23)13-17-9(12(20)21)10(18(13)2)11(19)16-8-5-4-7(14)6-15-8/h4-6H,3H2,1-2H3,(H,20,21)(H,15,16,19)