methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoyloxymethyl]furan-2-carboxylate CAS Name: 5-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-oxohexoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoyloxymethyl]furan-2-carboxylate Traditional Name: 5-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoyloxymethyl]furan-2-carboxylic acid methyl ester Formula: C21H25NO9S MolecularWeight: 467.4895

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25NO9S/c1-27-21(24)18-8-6-15(31-18)14-30-20(23)5-3-2-4-10-22-32(25,26)16-7-9-17-19(13-16)29-12-11-28-17/h6-9,13,22H,2-5,10-12,14H2,1H3