4-[[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methylamino]methyl]benzenesulfonamide Openeye Name: 4-[[[2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methylamino]methyl]benzenesulfonamide CAS Name: 4-[[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methylamino]methyl]benzenesulfonamide Traditional Name: 4-[[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methylamino]methyl]benzenesulfonamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H25N3O3S2/c1-31-21-8-5-18(6-9-21)25-20(13-19-7-10-22(32-2)14-24(19)28-25)16-27-15-17-3-11-23(12-4-17)33(26,29)30/h3-14,27H,15-16H2,1-2H3,(H2,26,29,30)