1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C21H22F3N3O3S2 MolecularWeight: 485.54289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3S2/c22-21(23,24)16-5-8-19(25-13-16)31-14-20(28)27-11-3-4-15-12-17(6-7-18(15)27)32(29,30)26-9-1-2-10-26/h5-8,12-13H,1-4,9-11,14H2