6-[(4-methylsulfanylphenyl)methylsulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[(4-methylsulfanylphenyl)methylsulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[(4-methylsulfanylphenyl)methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[[4-(methylthio)phenyl]methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[(4-methylsulfanylphenyl)methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-6-[[4-(methylthio)benzyl]sulfamoyl]-1H-quinoline-3-carboxylic acid Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

InChI

InChI=1S/C18H16N2O5S2/c1-26-12-4-2-11(3-5-12)9-20-27(24,25)13-6-7-16-14(8-13)17(21)15(10-19-16)18(22)23/h2-8,10,20H,9H2,1H3,(H,19,21)(H,22,23)