2-(dibenzofuran-2-ylsulfonylamino)-6-(3,3,3-triphenylpropanoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3,3,3-triphenylpropanoylamino)hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3,3,3-triphenylpropanoylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[(1-oxo-3,3,3-triphenylpropyl)amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3,3,3-triphenylpropanoylamino)hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3,3,3-triphenylpropanoylamino)hexanoic acid Formula: C39H36N2O6S MolecularWeight: 660.77794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H36N2O6S/c42-37(27-39(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30)40-25-13-12-21-34(38(43)44)41-48(45,46)31-23-24-36-33(26-31)32-20-10-11-22-35(32)47-36/h1-11,14-20,22-24,26,34,41H,12-13,21,25,27H2,(H,40,42)(H,43,44)