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

Systemtic Name: 2-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Openeye Name: 2-[4-(4-methylsulfonylphenoxy)-1-piperidyl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride CAS Name: 2-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride IUPAC Name: 2-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Traditional Name: 2-[4-(4-mesylphenoxy)piperidino]-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Formula: C24H27Cl3N4O3S MolecularWeight: 557.92018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)C5=CNN=C5.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)C5=CNN=C5.Cl.Cl.Cl

InChI

InChI=1S/C24H24N4O3S.3ClH/c1-32(29,30)22-6-4-20(5-7-22)31-21-10-12-28(13-11-21)24-9-3-18-14-17(2-8-23(18)27-24)19-15-25-26-16-19;;;/h2-9,14-16,21H,10-13H2,1H3,(H,25,26);3*1H