2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2-dibenzofuranylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-dibenzofuran-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H17NO5S MolecularWeight: 407.43908

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO5S/c24-22(25)19-11-14-5-1-2-6-15(14)13-23(19)29(26,27)16-9-10-21-18(12-16)17-7-3-4-8-20(17)28-21/h1-10,12,19H,11,13H2,(H,24,25)