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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(5-chloranyl-2-methoxy-phenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(5-chloro-2-methoxy-phenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(5-chloro-2-methoxy-phenyl)-4-methoxy-benzenesulfonamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-28-19-10-8-16(14-17(19)21(25)24-11-5-3-4-6-12-24)30(26,27)23-18-13-15(22)7-9-20(18)29-2/h7-10,13-14,23H,3-6,11-12H2,1-2H3