N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chloranyl-4-fluoranyl-phenyl)-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chloranyl-4-fluoranyl-phenyl)-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-chloro-4-fluoro-phenyl)-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-chloro-4-fluoro-phenyl)-3,4-dimethoxy-benzenesulfonamide Formula: C22H26ClFN2O5S MolecularWeight: 484.968643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C22H26ClFN2O5S/c1-30-20-10-8-17(14-21(20)31-2)32(28,29)26(16-7-9-19(24)18(23)13-16)15-22(27)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3