4-[3-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine hydrochloride

Systemtic Name: 4-[3-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine hydrochloride Openeye Name: 4-[3-(4-chlorophenyl)-5-(1-methylsulfonyl-4-piperidyl)-1H-pyrazol-4-yl]pyrimidine hydrochloride CAS Name: 4-[3-(4-chlorophenyl)-5-(1-methylsulfonyl-4-piperidinyl)-1H-pyrazol-4-yl]pyrimidine hydrochloride IUPAC Name: 4-[3-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine hydrochloride Traditional Name: 4-[3-(4-chlorophenyl)-5-(1-mesyl-4-piperidyl)-1H-pyrazol-4-yl]pyrimidine hydrochloride Formula: C19H21Cl2N5O2S MolecularWeight: 454.37334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4.Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4.Cl

InChI

InChI=1S/C19H20ClN5O2S.ClH/c1-28(26,27)25-10-7-14(8-11-25)19-17(16-6-9-21-12-22-16)18(23-24-19)13-2-4-15(20)5-3-13;/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,23,24);1H