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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-fluoranyl-phenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(3-chloro-4-fluoro-phenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(3-chloro-4-fluorophenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(3-chloro-4-fluoro-phenyl)-4-methoxy-benzenesulfonamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN2O4S/c1-28-19-9-7-15(13-16(19)20(25)24-10-4-2-3-5-11-24)29(26,27)23-14-6-8-18(22)17(21)12-14/h6-9,12-13,23H,2-5,10-11H2,1H3