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

Systemtic Name: 3-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 3-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 3-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 3-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 3-cyano-N-(2-ketoazepan-3-yl)-N-veratryl-benzenesulfonamide Formula: C22H25N3O5S MolecularWeight: 443.516

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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#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-29-20-10-9-17(13-21(20)30-2)15-25(19-8-3-4-11-24-22(19)26)31(27,28)18-7-5-6-16(12-18)14-23/h5-7,9-10,12-13,19H,3-4,8,11,15H2,1-2H3,(H,24,26)