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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-4-(trifluoromethoxy)-N-veratryl-benzenesulfonamide Formula: C22H25F3N2O6S MolecularWeight: 502.50391

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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)OC(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O6S/c1-31-19-11-6-15(13-20(19)32-2)14-27(18-5-3-4-12-26-21(18)28)34(29,30)17-9-7-16(8-10-17)33-22(23,24)25/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,26,28)