4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline

Systemtic Name: 4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Openeye Name: 4-[4-(4-methylsulfonylphenoxy)-1-piperidyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline CAS Name: 4-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline IUPAC Name: 4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Traditional Name: 4-[4-(4-mesylphenoxy)piperidino]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Formula: C25H23F3N4O3S MolecularWeight: 516.53533

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)C5=C(NN=C5)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)C5=C(NN=C5)C(F)(F)F

InChI

InChI=1S/C25H23F3N4O3S/c1-36(33,34)19-5-3-17(4-6-19)35-18-9-12-32(13-10-18)23-8-11-29-22-7-2-16(14-20(22)23)21-15-30-31-24(21)25(26,27)28/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,30,31)