2-(dibenzofuran-2-ylsulfonylamino)-6-(naphthalen-2-ylsulfanylcarbamoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(naphthalen-2-ylsulfanylcarbamoylamino)hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-naphthylsulfanylcarbamoylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[[(2-naphthalenylthio)amino]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(naphthalen-2-ylsulfanylcarbamoylamino)hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[(2-naphthylthio)carbamoylamino]hexanoic acid Formula: C29H27N3O6S2 MolecularWeight: 577.67118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SNC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SNC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C29H27N3O6S2/c33-28(34)25(32-40(36,37)22-14-15-27-24(18-22)23-9-3-4-11-26(23)38-27)10-5-6-16-30-29(35)31-39-21-13-12-19-7-1-2-8-20(19)17-21/h1-4,7-9,11-15,17-18,25,32H,5-6,10,16H2,(H,33,34)(H2,30,31,35)