4-[4-(2-fluoranyl-4-methylsulfonyl-phenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride

Systemtic Name: 4-[4-(2-fluoranyl-4-methylsulfonyl-phenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Openeye Name: 4-[4-(2-fluoro-4-methylsulfonyl-phenoxy)-1-piperidyl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride CAS Name: 4-[4-(2-fluoro-4-methylsulfonylphenoxy)-1-piperidinyl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride IUPAC Name: 4-[4-(2-fluoro-4-methylsulfonylphenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Traditional Name: 4-[4-(2-fluoro-4-mesyl-phenoxy)piperidino]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Formula: C24H26Cl3FN4O3S MolecularWeight: 575.910643

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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=CNN=C5)F.Cl.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O3S.3ClH/c1-33(30,31)19-3-5-24(21(25)13-19)32-18-7-10-29(11-8-18)23-6-9-26-22-4-2-16(12-20(22)23)17-14-27-28-15-17;;;/h2-6,9,12-15,18H,7-8,10-11H2,1H3,(H,27,28);3*1H