3-(azepan-1-ylcarbonyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(4-bromo-2-fluoro-phenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(4-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(4-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(4-bromo-2-fluoro-phenyl)-4-methoxy-benzenesulfonamide Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)F)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)F)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H22BrFN2O4S/c1-28-19-9-7-15(13-16(19)20(25)24-10-4-2-3-5-11-24)29(26,27)23-18-8-6-14(21)12-17(18)22/h6-9,12-13,23H,2-5,10-11H2,1H3