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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C20H23NO9S MolecularWeight: 453.46292

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)O)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)O)OC

InChI

InChI=1S/C20H23NO9S/c1-26-8-9-30-19-12-15(14(20(22)23)11-17(19)27-2)21-31(24,25)13-4-5-16-18(10-13)29-7-3-6-28-16/h4-5,10-12,21H,3,6-9H2,1-2H3,(H,22,23)