2,2,2-tris(fluoranyl)ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonate Openeye Name: 2,2,2-trifluoroethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonic acid 2,2,2-trifluoroethyl ester Formula: C13H16F3NO3S MolecularWeight: 323.33125

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCS(=O)(=O)OCC(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCS(=O)(=O)OCC(F)(F)F

InChI

InChI=1S/C13H16F3NO3S/c14-13(15,16)10-20-21(18,19)8-7-17-6-5-11-3-1-2-4-12(11)9-17/h1-4H,5-10H2