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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)-4-propyl-benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-propyl-benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)-4-propylbenzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-propylbenzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-4-propyl-N-veratryl-benzenesulfonamide Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

InChI

InChI=1S/C24H32N2O5S/c1-4-7-18-9-12-20(13-10-18)32(28,29)26(21-8-5-6-15-25-24(21)27)17-19-11-14-22(30-2)23(16-19)31-3/h9-14,16,21H,4-8,15,17H2,1-3H3,(H,25,27)