6-[2-(4-chloranylphenoxy)ethanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid

Systemtic Name: 6-[2-(4-chloranylphenoxy)ethanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Openeye Name: 6-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 6-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-2-(2-dibenzofuranylsulfonylamino)hexanoic acid IUPAC Name: 6-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C26H25ClN2O7S MolecularWeight: 545.0039

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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=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)COC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H25ClN2O7S/c27-17-8-10-18(11-9-17)35-16-25(30)28-14-4-3-6-22(26(31)32)29-37(33,34)19-12-13-24-21(15-19)20-5-1-2-7-23(20)36-24/h1-2,5,7-13,15,22,29H,3-4,6,14,16H2,(H,28,30)(H,31,32)