methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoyloxymethyl]benzoate Openeye Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoyloxymethyl]benzoate CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoyloxymethyl]benzoate Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoyloxymethyl]benzoic acid methyl ester Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO8S/c1-27-21(24)16-5-2-4-15(12-16)14-30-20(23)6-3-9-22-31(25,26)17-7-8-18-19(13-17)29-11-10-28-18/h2,4-5,7-8,12-13,22H,3,6,9-11,14H2,1H3