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

Systemtic Name: 4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 5-isopropyl-4-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]pyrimidine CAS Name: 4-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 5-isopropyl-4-methyl-6-(4-tosylpiperazino)-2-[4-(trifluoromethyl)phenyl]pyrimidine Formula: C26H29F3N4O2S MolecularWeight: 518.59427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=C(C=C4)C(F)(F)F

InChI

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