2-[4-(3-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline

Systemtic Name: 2-[4-(3-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Openeye Name: 2-[4-(3-methylsulfonylphenoxy)-1-piperidyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline CAS Name: 2-[4-(3-methylsulfonylphenoxy)-1-piperidinyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline IUPAC Name: 2-[4-(3-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Traditional Name: 2-[4-(3-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=CC(=C1)OC2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)C5=C(NN=C5)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OC2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)C5=C(NN=C5)C(F)(F)F

InChI

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