2-(dibenzofuran-2-ylsulfonylamino)-5-[dimethylamino(ethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-5-[dimethylamino(ethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-5-[dimethylamino(ethyl)amino]-5-oxo-pentanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-5-[dimethylamino(ethyl)amino]-5-oxopentanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-5-[dimethylamino(ethyl)amino]-5-oxopentanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-5-[dimethylamino(ethyl)amino]-5-keto-valeric acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-4-24(23(2)3)20(25)12-10-17(21(26)27)22-31(28,29)14-9-11-19-16(13-14)15-7-5-6-8-18(15)30-19/h5-9,11,13,17,22H,4,10,12H2,1-3H3,(H,26,27)