2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxybenzoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxybenzoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxy-benzoic acid Formula: C18H19NO8S MolecularWeight: 409.41036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO8S/c1-24-15-9-12(18(20)21)13(10-16(15)25-2)19-28(22,23)11-4-5-14-17(8-11)27-7-3-6-26-14/h4-5,8-10,19H,3,6-7H2,1-2H3,(H,20,21)