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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O9S/c1-30-22(27)16-5-2-3-6-17(16)24-20(25)14-33-21(26)9-10-23-34(28,29)15-7-8-18-19(13-15)32-12-4-11-31-18/h2-3,5-8,13,23H,4,9-12,14H2,1H3,(H,24,25)