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

Systemtic Name: 2-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Openeye Name: 2-[4-(4-methylsulfonylphenoxy)-1-piperidyl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride CAS Name: 2-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride IUPAC Name: 2-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Traditional Name: 2-[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=C4C=C(C=CC4=N3)C5=CNN=C5.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5.Cl.Cl.Cl

InChI

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