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

Systemtic Name: 4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Openeye Name: 4-[4-(4-methylsulfonylphenoxy)-1-piperidyl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride CAS Name: 4-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride IUPAC Name: 4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Traditional Name: 4-[4-(4-mesylphenoxy)piperidino]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Formula: C23H26Cl3N5O3S MolecularWeight: 558.90824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl.Cl

InChI

InChI=1S/C23H23N5O3S.3ClH/c1-32(29,30)20-5-3-18(4-6-20)31-19-8-10-28(11-9-19)23-21-12-16(17-13-26-27-14-17)2-7-22(21)24-15-25-23;;;/h2-7,12-15,19H,8-11H2,1H3,(H,26,27);3*1H