4-fluoranyl-N-[2-[(2-methylsulfanylphenyl)methylamino]quinolin-5-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[2-[(2-methylsulfanylphenyl)methylamino]quinolin-5-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[2-[(2-methylsulfanylphenyl)methylamino]-5-quinolyl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-[[2-(methylthio)phenyl]methylamino]-5-quinolinyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[2-[(2-methylsulfanylphenyl)methylamino]quinolin-5-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-[[2-(methylthio)benzyl]amino]-5-quinolyl]benzenesulfonamide Formula: C23H20FN3O2S2 MolecularWeight: 453.552203

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CNC2=NC3=C(C=C2)C(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC=C1CNC2=NC3=C(C=C2)C(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3O2S2/c1-30-22-8-3-2-5-16(22)15-25-23-14-13-19-20(26-23)6-4-7-21(19)27-31(28,29)18-11-9-17(24)10-12-18/h2-14,27H,15H2,1H3,(H,25,26)