methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C19H21NO8S MolecularWeight: 423.43694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO8S/c1-24-16-10-13(19(21)26-3)14(11-17(16)25-2)20-29(22,23)12-5-6-15-18(9-12)28-8-4-7-27-15/h5-6,9-11,20H,4,7-8H2,1-3H3