4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-piperidin-4-yl-pyrazol-4-yl]pyrimidine

Systemtic Name: 4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-piperidin-4-yl-pyrazol-4-yl]pyrimidine Openeye Name: 4-[5-(4-chlorophenyl)-3-(4-piperidyl)-1-(p-tolylsulfonyl)pyrazol-4-yl]pyrimidine CAS Name: 4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-(4-piperidinyl)-4-pyrazolyl]pyrimidine IUPAC Name: 4-[5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrazol-4-yl]pyrimidine Traditional Name: 4-[5-(4-chlorophenyl)-3-(4-piperidyl)-1-tosyl-pyrazol-4-yl]pyrimidine Formula: C25H24ClN5O2S MolecularWeight: 494.00836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C3CCNCC3)C4=NC=NC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C3CCNCC3)C4=NC=NC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H24ClN5O2S/c1-17-2-8-21(9-3-17)34(32,33)31-25(19-4-6-20(26)7-5-19)23(22-12-15-28-16-29-22)24(30-31)18-10-13-27-14-11-18/h2-9,12,15-16,18,27H,10-11,13-14H2,1H3