4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-2-methylsulfonyl-pyrimidine

Systemtic Name: 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-2-methylsulfonyl-pyrimidine Openeye Name: 4-[3-(4-chlorophenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]-2-methylsulfonyl-pyrimidine CAS Name: 4-[3-(4-chlorophenyl)-5-(4-piperidinyl)-1H-pyrazol-4-yl]-2-methylsulfonylpyrimidine IUPAC Name: 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-2-methylsulfonylpyrimidine Traditional Name: 4-[3-(4-chlorophenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]-2-mesyl-pyrimidine Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCNCC4

Isomeric SMILES

CS(=O)(=O)C1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCNCC4

InChI

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