2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(diethylamino)propanoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(diethylamino)propanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(diethylamino)propanoylamino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[3-(diethylamino)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(diethylamino)propanoylamino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(diethylamino)propanoylamino]hexanoic acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32

Isomeric SMILES

CCN(CC)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32

InChI

InChI=1S/C25H33N3O6S/c1-3-28(4-2)16-14-24(29)26-15-8-7-10-21(25(30)31)27-35(32,33)18-12-13-23-20(17-18)19-9-5-6-11-22(19)34-23/h5-6,9,11-13,17,21,27H,3-4,7-8,10,14-16H2,1-2H3,(H,26,29)(H,30,31)