2-(dibenzofuran-2-ylsulfonylamino)-6-[2-(2-nitrophenoxy)ethanoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[2-(2-nitrophenoxy)ethanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[[2-(2-nitrophenoxy)acetyl]amino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[[2-(2-nitrophenoxy)acetyl]amino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[[2-(2-nitrophenoxy)acetyl]amino]hexanoic acid Formula: C26H25N3O9S MolecularWeight: 555.5564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)COC4=CC=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)COC4=CC=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H25N3O9S/c30-25(16-37-24-11-4-2-9-21(24)29(33)34)27-14-6-5-8-20(26(31)32)28-39(35,36)17-12-13-23-19(15-17)18-7-1-3-10-22(18)38-23/h1-4,7,9-13,15,20,28H,5-6,8,14,16H2,(H,27,30)(H,31,32)