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

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C28H33F3N4O2S MolecularWeight: 546.64743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33F3N4O2S/c1-6-24-19(2)32-25(20-8-7-9-22(18-20)28(29,30)31)33-26(24)34-14-16-35(17-15-34)38(36,37)23-12-10-21(11-13-23)27(3,4)5/h7-13,18H,6,14-17H2,1-5H3