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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-veratryl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C18H21NO6S/c1-22-15-6-4-13(10-17(15)23-2)12-19-26(20,21)14-5-7-16-18(11-14)25-9-3-8-24-16/h4-7,10-11,19H,3,8-9,12H2,1-2H3