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

Systemtic Name: methyl 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoyloxymethyl]benzoate Openeye Name: methyl 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoyloxymethyl]benzoate CAS Name: 3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoyloxymethyl]benzoate Traditional Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoyloxymethyl]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)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

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