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

Systemtic Name: N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2,4,5-trimethoxybenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H23NO7S MolecularWeight: 409.45342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC)OC

InChI

InChI=1S/C19H23NO7S/c1-23-16-11-18(25-3)17(24-2)9-13(16)12-20-28(21,22)14-5-6-15-19(10-14)27-8-4-7-26-15/h5-6,9-11,20H,4,7-8,12H2,1-3H3