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

Systemtic Name: 2-[4-(2-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Openeye Name: 2-[4-(2-methylsulfonylphenoxy)-1-piperidyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline CAS Name: 2-[4-(2-methylsulfonylphenoxy)-1-piperidinyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline IUPAC Name: 2-[4-(2-methylsulfonylphenoxy)piperidin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Traditional Name: 2-[4-(2-mesylphenoxy)piperidino]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline Formula: C25H23F3N4O3S MolecularWeight: 516.53533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1OC2CCN(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=C1OC2CCN(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)22-5-3-2-4-21(22)35-18-10-12-32(13-11-18)23-9-7-17-14-16(6-8-20(17)30-23)19-15-29-31-24(19)25(26,27)28/h2-9,14-15,18H,10-13H2,1H3,(H,29,31)