(5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: (5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-13(2)29-19-7-6-17(30(3,27)28)11-18(19)20(26)25-9-8-14-10-16(21(22,23)24)5-4-15(14)12-25/h4-7,10-11,13H,8-9,12H2,1-3H3