2-[8-methylsulfonyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]ethanoic acid

Systemtic Name: 2-[8-methylsulfonyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]ethanoic acid Openeye Name: 2-[8-methylsulfonyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid CAS Name: 2-[8-methylsulfonyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid IUPAC Name: 2-[8-methylsulfonyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid Traditional Name: 2-[8-mesyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=CC(=C1)CC(=O)O)CCC(N2)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C2C(=CC(=C1)CC(=O)O)CCC(N2)C(F)(F)F

InChI

InChI=1S/C13H14F3NO4S/c1-22(20,21)9-5-7(6-11(18)19)4-8-2-3-10(13(14,15)16)17-12(8)9/h4-5,10,17H,2-3,6H2,1H3,(H,18,19)