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

Systemtic Name: 5-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 5-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 5-ethyl-4-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 5-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 5-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazino]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C25H27F3N4O3S MolecularWeight: 520.56709

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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)OC)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)OC)C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C25H27F3N4O3S/c1-4-22-17(2)29-23(18-6-5-7-19(16-18)25(26,27)28)30-24(22)31-12-14-32(15-13-31)36(33,34)21-10-8-20(35-3)9-11-21/h5-11,16H,4,12-15H2,1-3H3