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

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-(sulfamoylmethyl)quinoline-3-carboxylic acid Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-4-oxo-1-(sulfamoylmethyl)quinoline-3-carboxylic acid CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-1-(sulfamoylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-1-(sulfamoylmethyl)quinoline-3-carboxylic acid Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-4-keto-1-(sulfamoylmethyl)quinoline-3-carboxylic acid Formula: C18H14ClFN2O5S MolecularWeight: 424.830563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CS(=O)(=O)N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CS(=O)(=O)N)F

InChI

InChI=1S/C18H14ClFN2O5S/c19-14-2-1-3-15(20)11(14)6-10-4-5-16-12(7-10)17(23)13(18(24)25)8-22(16)9-28(21,26)27/h1-5,7-8H,6,9H2,(H,24,25)(H2,21,26,27)