3-(azepan-1-ylcarbonyl)-4-chloranyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-chloranyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-chloro-N-(5-chloro-2,4-dimethoxy-phenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-chloro-N-(5-chloro-2,4-dimethoxy-phenyl)benzenesulfonamide Formula: C21H24Cl2N2O5S MolecularWeight: 487.39666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C21H24Cl2N2O5S/c1-29-19-13-20(30-2)18(12-17(19)23)24-31(27,28)14-7-8-16(22)15(11-14)21(26)25-9-5-3-4-6-10-25/h7-8,11-13,24H,3-6,9-10H2,1-2H3