2,2,2-tris(fluoranyl)-1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2,2,2-tris(fluoranyl)-1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2,2,2-trifluoro-1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2,2,2-trifluoro-1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2,2,2-trifluoro-1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2,2,2-trifluoro-1-(7-mesyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C12H12F3NO3S MolecularWeight: 307.28879

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

InChI

InChI=1S/C12H12F3NO3S/c1-20(18,19)10-3-2-8-4-5-16(7-9(8)6-10)11(17)12(13,14)15/h2-3,6H,4-5,7H2,1H3