2-(dibenzofuran-2-ylsulfonylamino)-6-(prop-2-enylcarbamoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(prop-2-enylcarbamoylamino)hexanoic acid Openeye Name: 6-(allylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[oxo-(prop-2-enylamino)methyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(prop-2-enylcarbamoylamino)hexanoic acid Traditional Name: 6-(allylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-2-12-23-22(28)24-13-6-5-8-18(21(26)27)25-32(29,30)15-10-11-20-17(14-15)16-7-3-4-9-19(16)31-20/h2-4,7,9-11,14,18,25H,1,5-6,8,12-13H2,(H,26,27)(H2,23,24,28)