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

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(4-methylphenyl)propanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(p-tolyl)propanoylamino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[3-(4-methylphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(4-methylphenyl)propanoylamino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(p-tolyl)propanoylamino]hexanoic acid Formula: C28H30N2O6S MolecularWeight: 522.6126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43

InChI

InChI=1S/C28H30N2O6S/c1-19-9-11-20(12-10-19)13-16-27(31)29-17-5-4-7-24(28(32)33)30-37(34,35)21-14-15-26-23(18-21)22-6-2-3-8-25(22)36-26/h2-3,6,8-12,14-15,18,24,30H,4-5,7,13,16-17H2,1H3,(H,29,31)(H,32,33)