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

Systemtic Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxymethyl]benzoate CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxymethyl]benzoic acid methyl ester Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO8S/c1-26-20(23)15-5-3-14(4-6-15)13-29-19(22)12-21-30(24,25)16-7-8-17-18(11-16)28-10-2-9-27-17/h3-8,11,21H,2,9-10,12-13H2,1H3