3-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoranyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoranyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-(2-ketoazepan-3-yl)-N-veratryl-benzenesulfonamide Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H24ClFN2O5S/c1-29-19-9-6-14(11-20(19)30-2)13-25(18-5-3-4-10-24-21(18)26)31(27,28)15-7-8-17(23)16(22)12-15/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,24,26)