3-(azepan-1-ylcarbonyl)-N-[3,5-bis(chloranyl)phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[3,5-bis(chloranyl)phenyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(3,5-dichlorophenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(3,5-dichlorophenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(3,5-dichlorophenyl)-4-methoxy-benzenesulfonamide Formula: C20H22Cl2N2O4S MolecularWeight: 457.37068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N2O4S/c1-28-19-7-6-17(13-18(19)20(25)24-8-4-2-3-5-9-24)29(26,27)23-16-11-14(21)10-15(22)12-16/h6-7,10-13,23H,2-5,8-9H2,1H3