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

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C26H29F3N4O2S MolecularWeight: 518.59427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H29F3N4O2S/c1-18-16-23(31-24(30-18)19-6-5-7-21(17-19)26(27,28)29)32-12-14-33(15-13-32)36(34,35)22-10-8-20(9-11-22)25(2,3)4/h5-11,16-17H,12-15H2,1-4H3