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

Systemtic Name: 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinoline dihydrochloride Openeye Name: 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-(4-methylsulfonylphenoxy)-1-piperidyl]quinoline dihydrochloride CAS Name: 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]quinoline dihydrochloride IUPAC Name: 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinoline dihydrochloride Traditional Name: 4-[4-(4-mesylphenoxy)piperidino]-6-(5-methyl-1H-pyrazol-4-yl)quinoline dihydrochloride Formula: C25H28Cl2N4O3S MolecularWeight: 535.48582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C2=CC3=C(C=CN=C3C=C2)N4CCC(CC4)OC5=CC=C(C=C5)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CC1=C(C=NN1)C2=CC3=C(C=CN=C3C=C2)N4CCC(CC4)OC5=CC=C(C=C5)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C25H26N4O3S.2ClH/c1-17-23(16-27-28-17)18-3-8-24-22(15-18)25(9-12-26-24)29-13-10-20(11-14-29)32-19-4-6-21(7-5-19)33(2,30)31;;/h3-9,12,15-16,20H,10-11,13-14H2,1-2H3,(H,27,28);2*1H