6-[3-(4-chlorophenyl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid

Systemtic Name: 6-[3-(4-chlorophenyl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Openeye Name: 6-[3-(4-chlorophenyl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 6-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-2-(2-dibenzofuranylsulfonylamino)hexanoic acid IUPAC Name: 6-[3-(4-chlorophenyl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[3-(4-chlorophenyl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C27H27ClN2O6S MolecularWeight: 543.03108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)CCC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)CCC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C27H27ClN2O6S/c28-19-11-8-18(9-12-19)10-15-26(31)29-16-4-3-6-23(27(32)33)30-37(34,35)20-13-14-25-22(17-20)21-5-1-2-7-24(21)36-25/h1-2,5,7-9,11-14,17,23,30H,3-4,6,10,15-16H2,(H,29,31)(H,32,33)