2-(dibenzofuran-2-ylsulfonylamino)-6-(pyridin-3-ylsulfanylcarbamoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(pyridin-3-ylsulfanylcarbamoylamino)hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3-pyridylsulfanylcarbamoylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[oxo-[(3-pyridinylthio)amino]methyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(pyridin-3-ylsulfanylcarbamoylamino)hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[(3-pyridylthio)carbamoylamino]hexanoic acid Formula: C24H24N4O6S2 MolecularWeight: 528.60056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)NSC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)NSC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C24H24N4O6S2/c29-23(30)20(8-3-4-13-26-24(31)27-35-16-6-5-12-25-15-16)28-36(32,33)17-10-11-22-19(14-17)18-7-1-2-9-21(18)34-22/h1-2,5-7,9-12,14-15,20,28H,3-4,8,13H2,(H,29,30)(H2,26,27,31)