2-dibenzofuran-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-dibenzofuran-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-dibenzofuran-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-(2-dibenzofuranylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-dibenzofuran-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-dibenzofuran-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCN(C2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

C1CCC2C(C1)CCN(C2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C22H23NO5S/c24-22(25)21-16-6-2-1-5-14(16)11-12-23(21)29(26,27)15-9-10-20-18(13-15)17-7-3-4-8-19(17)28-20/h3-4,7-10,13-14,16,21H,1-2,5-6,11-12H2,(H,24,25)