ethyl 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoyloxy]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoyloxy]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxyacetyl]amino]benzoic acid ethyl ester Formula: C22H24N2O9S MolecularWeight: 492.49896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O9S/c1-2-30-22(27)16-6-3-4-7-17(16)24-20(25)14-33-21(26)13-23-34(28,29)15-8-9-18-19(12-15)32-11-5-10-31-18/h3-4,6-9,12,23H,2,5,10-11,13-14H2,1H3,(H,24,25)