6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(methylsulfamoylmethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(methylsulfamoylmethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-1-(methylsulfamoylmethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1-(methylsulfamoylmethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1-(methylsulfamoylmethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-4-keto-1-(methylsulfamoylmethyl)quinoline-3-carboxylic acid Formula: C19H16ClFN2O5S MolecularWeight: 438.857143

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CN1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C=CC=C3Cl)F)C(=O)O

Isomeric SMILES

CNS(=O)(=O)CN1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C=CC=C3Cl)F)C(=O)O

InChI

InChI=1S/C19H16ClFN2O5S/c1-22-29(27,28)10-23-9-14(19(25)26)18(24)13-8-11(5-6-17(13)23)7-12-15(20)3-2-4-16(12)21/h2-6,8-9,22H,7,10H2,1H3,(H,25,26)