N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-[2-(2-hydroxyethylsulfanyl)ethylsulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-[2-(2-hydroxyethylsulfanyl)ethylsulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-[2-(2-hydroxyethylsulfanyl)ethylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-[2-(2-hydroxyethylthio)ethylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-[2-(2-hydroxyethylsulfanyl)ethylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-6-[2-(2-hydroxyethylthio)ethylsulfamoyl]-4-keto-1H-quinoline-3-carboxamide Formula: C21H21ClFN3O5S2 MolecularWeight: 513.989943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C=C(C=C3C2=O)S(=O)(=O)NCCSCCO)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C=C(C=C3C2=O)S(=O)(=O)NCCSCCO)F)Cl

InChI

InChI=1S/C21H21ClFN3O5S2/c22-14-3-1-13(2-4-14)11-25-21(29)17-12-24-19-16(20(17)28)9-15(10-18(19)23)33(30,31)26-5-7-32-8-6-27/h1-4,9-10,12,26-27H,5-8,11H2,(H,24,28)(H,25,29)