2-(2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-oxo-acetic acid CAS Name: 2-[2-(2-dibenzofuranylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-(2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-oxoacetic acid Traditional Name: 2-(2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-keto-acetic acid Formula: C23H17NO6S MolecularWeight: 435.44918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54)C(=O)C(=O)O

InChI

InChI=1S/C23H17NO6S/c25-22(23(26)27)19-11-14-5-1-2-6-15(14)13-24(19)31(28,29)16-9-10-21-18(12-16)17-7-3-4-8-20(17)30-21/h1-10,12,19H,11,13H2,(H,26,27)