N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-homoveratryl-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H25NO6S/c1-21(10-9-15-5-7-17(24-2)19(13-15)25-3)28(22,23)16-6-8-18-20(14-16)27-12-4-11-26-18/h5-8,13-14H,4,9-12H2,1-3H3