2-(dibenzofuran-2-ylsulfonylamino)-6-[(diphenylmethyl)sulfanylcarbamoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[(diphenylmethyl)sulfanylcarbamoylamino]hexanoic acid Openeye Name: 6-(benzhydrylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[[[(diphenylmethyl)thio]amino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-(benzhydrylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[(benzhydrylthio)carbamoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C32H31N3O6S2 MolecularWeight: 617.73504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SNC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SNC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C32H31N3O6S2/c36-31(37)27(35-43(39,40)24-18-19-29-26(21-24)25-15-7-8-17-28(25)41-29)16-9-10-20-33-32(38)34-42-30(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-8,11-15,17-19,21,27,30,35H,9-10,16,20H2,(H,36,37)(H2,33,34,38)