2,2,2-tris(fluoranyl)-1-[7-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 2,2,2-tris(fluoranyl)-1-[7-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2,2,2-trifluoro-1-[7-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2,2,2-trifluoro-1-[7-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2,2,2-trifluoro-1-[7-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2,2,2-trifluoro-1-[7-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C21H27F3N2O3S MolecularWeight: 444.51089

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC4=C(CCN(C4)C(=O)C(F)(F)F)C=C3)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC4=C(CCN(C4)C(=O)C(F)(F)F)C=C3)C)C

InChI

InChI=1S/C21H27F3N2O3S/c1-19(2)9-16-10-20(3,12-19)13-26(16)30(28,29)17-5-4-14-6-7-25(11-15(14)8-17)18(27)21(22,23)24/h4-5,8,16H,6-7,9-13H2,1-3H3