1-(2-hydroxyethyl)-6-[[2-(methylsulfamoyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(2-hydroxyethyl)-6-[[2-(methylsulfamoyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2-hydroxyethyl)-6-[[2-(methylsulfamoyl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2-hydroxyethyl)-6-[[2-(methylsulfamoyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2-hydroxyethyl)-6-[[2-(methylsulfamoyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2-hydroxyethyl)-4-keto-6-[2-(methylsulfamoyl)benzyl]quinoline-3-carboxylic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C20H20N2O6S/c1-21-29(27,28)18-5-3-2-4-14(18)10-13-6-7-17-15(11-13)19(24)16(20(25)26)12-22(17)8-9-23/h2-7,11-12,21,23H,8-10H2,1H3,(H,25,26)