methyl (2R)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoyloxy]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoyloxy]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxy-2-phenyl-acetate CAS Name: (2R)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxoethoxy]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxy-2-phenylacetate Traditional Name: (2R)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxy-2-phenyl-acetic acid methyl ester Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO8S/c1-26-20(23)19(14-6-3-2-4-7-14)29-18(22)13-21-30(24,25)15-8-9-16-17(12-15)28-11-5-10-27-16/h2-4,6-9,12,19,21H,5,10-11,13H2,1H3/t19-/m1/s1