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

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(dimethylsulfamoylmethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-1-(dimethylsulfamoylmethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1-(dimethylsulfamoylmethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1-(dimethylsulfamoylmethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-1-(dimethylsulfamoylmethyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H18ClFN2O5S MolecularWeight: 452.883723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O5S/c1-23(2)30(28,29)11-24-10-15(20(26)27)19(25)14-9-12(6-7-18(14)24)8-13-16(21)4-3-5-17(13)22/h3-7,9-10H,8,11H2,1-2H3,(H,26,27)