2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(4-nitrophenyl)butanoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(4-nitrophenyl)butanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(4-nitrophenyl)butanoylamino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[4-(4-nitrophenyl)-1-oxobutyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(4-nitrophenyl)butanoylamino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(4-nitrophenyl)butanoylamino]hexanoic acid Formula: C28H29N3O8S MolecularWeight: 567.61016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)CCCC4=CC=C(C=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)CCCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H29N3O8S/c32-27(10-5-6-19-11-13-20(14-12-19)31(35)36)29-17-4-3-8-24(28(33)34)30-40(37,38)21-15-16-26-23(18-21)22-7-1-2-9-25(22)39-26/h1-2,7,9,11-16,18,24,30H,3-6,8,10,17H2,(H,29,32)(H,33,34)