methyl 6-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]hexanoate

Systemtic Name: methyl 6-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]hexanoate Openeye Name: methyl 6-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]hexanoate CAS Name: 6-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-oxohexyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]hexanoate Traditional Name: 6-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]hexanoic acid methyl ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C21H32N2O7S/c1-28-21(25)9-5-3-6-12-22-20(24)8-4-2-7-13-23-31(26,27)17-10-11-18-19(16-17)30-15-14-29-18/h10-11,16,23H,2-9,12-15H2,1H3,(H,22,24)