5-[butyl(methyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[butyl(methyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[butyl(methyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)-5-oxo-pentanoic acid CAS Name: 5-[butyl(methyl)amino]-2-(2-dibenzofuranylsulfonylamino)-5-oxopentanoic acid IUPAC Name: 5-[butyl(methyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)-5-oxopentanoic acid Traditional Name: 5-[butyl(methyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)-5-keto-valeric acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32

Isomeric SMILES

CCCCN(C)C(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32

InChI

InChI=1S/C22H26N2O6S/c1-3-4-13-24(2)21(25)12-10-18(22(26)27)23-31(28,29)15-9-11-20-17(14-15)16-7-5-6-8-19(16)30-20/h5-9,11,14,18,23H,3-4,10,12-13H2,1-2H3,(H,26,27)