4-(2-bromanyl-4-methoxy-3-methylsulfanyl-phenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(2-bromanyl-4-methoxy-3-methylsulfanyl-phenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide Openeye Name: 4-(2-bromo-4-methoxy-3-methylsulfanyl-phenyl)-N-(4-quinolylmethyl)benzenesulfonamide CAS Name: 4-[2-bromo-4-methoxy-3-(methylthio)phenyl]-N-(4-quinolinylmethyl)benzenesulfonamide IUPAC Name: 4-(2-bromo-4-methoxy-3-methylsulfanylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide Traditional Name: 4-[2-bromo-4-methoxy-3-(methylthio)phenyl]-N-(4-quinolylmethyl)benzenesulfonamide Formula: C24H21BrN2O3S2 MolecularWeight: 529.46914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=NC4=CC=CC=C34)Br)SC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=NC4=CC=CC=C34)Br)SC

InChI

InChI=1S/C24H21BrN2O3S2/c1-30-22-12-11-20(23(25)24(22)31-2)16-7-9-18(10-8-16)32(28,29)27-15-17-13-14-26-21-6-4-3-5-19(17)21/h3-14,27H,15H2,1-2H3