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

Systemtic Name: 5-ethyl-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 5-ethyl-4-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 5-ethyl-4-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 5-ethyl-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 5-ethyl-4-methyl-6-(4-tosylpiperazino)-2-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C25H27F3N4O2S MolecularWeight: 504.56769

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)C(F)(F)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C25H27F3N4O2S/c1-4-22-18(3)29-23(19-6-5-7-20(16-19)25(26,27)28)30-24(22)31-12-14-32(15-13-31)35(33,34)21-10-8-17(2)9-11-21/h5-11,16H,4,12-15H2,1-3H3