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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-homoveratryl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-23-16-6-4-14(12-18(16)24-2)8-9-20-27(21,22)15-5-7-17-19(13-15)26-11-3-10-25-17/h4-7,12-13,20H,3,8-11H2,1-2H3