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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-3-(trifluoromethyl)-N-veratryl-benzenesulfonamide Formula: C22H25F3N2O5S MolecularWeight: 486.50451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O5S/c1-31-19-10-9-15(12-20(19)32-2)14-27(18-8-3-4-11-26-21(18)28)33(29,30)17-7-5-6-16(13-17)22(23,24)25/h5-7,9-10,12-13,18H,3-4,8,11,14H2,1-2H3,(H,26,28)