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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-methoxy-phenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(3-chloro-4-methoxy-phenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(3-chloro-4-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=CC(=C(C=C2)OC)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC)Cl)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)23-15-7-9-20(29-2)18(22)13-15/h7-10,13-14,23H,3-6,11-12H2,1-2H3