6-[2-(1,3-benzodioxol-5-yl)ethanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)ethanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Openeye Name: 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 6-[[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-2-(2-dibenzofuranylsulfonylamino)hexanoic acid IUPAC Name: 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C27H26N2O8S MolecularWeight: 538.56894

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C27H26N2O8S/c30-26(14-17-8-10-24-25(13-17)36-16-35-24)28-12-4-3-6-21(27(31)32)29-38(33,34)18-9-11-23-20(15-18)19-5-1-2-7-22(19)37-23/h1-2,5,7-11,13,15,21,29H,3-4,6,12,14,16H2,(H,28,30)(H,31,32)