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

Systemtic Name: 4-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-butyl-N-(2-ketoazepan-3-yl)-N-veratryl-benzenesulfonamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

InChI

InChI=1S/C25H34N2O5S/c1-4-5-8-19-10-13-21(14-11-19)33(29,30)27(22-9-6-7-16-26-25(22)28)18-20-12-15-23(31-2)24(17-20)32-3/h10-15,17,22H,4-9,16,18H2,1-3H3,(H,26,28)