4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine

Systemtic Name: 4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 4-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 4-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 4-methyl-6-(4-tosylpiperazino)-2-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C23H23F3N4O2S MolecularWeight: 476.51453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O2S/c1-16-6-8-20(9-7-16)33(31,32)30-12-10-29(11-13-30)21-14-17(2)27-22(28-21)18-4-3-5-19(15-18)23(24,25)26/h3-9,14-15H,10-13H2,1-2H3