2-[bis(fluoranyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(difluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(difluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(difluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(difluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C11H11F2NO4S MolecularWeight: 291.271146

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C(F)F)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C(F)F)C(=O)O

InChI

InChI=1S/C11H11F2NO4S/c12-11(13)19(17,18)14-6-8-4-2-1-3-7(8)5-9(14)10(15)16/h1-4,9,11H,5-6H2,(H,15,16)