4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2,6-dimethyl-pyrimidine

Systemtic Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2,6-dimethyl-pyrimidine Openeye Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2,6-dimethyl-pyrimidine CAS Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2,6-dimethylpyrimidine IUPAC Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2,6-dimethylpyrimidine Traditional Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]-2,6-dimethyl-pyrimidine Formula: C18H18F6N4O2S MolecularWeight: 468.416539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H18F6N4O2S/c1-11-7-16(26-12(2)25-11)27-3-5-28(6-4-27)31(29,30)15-9-13(17(19,20)21)8-14(10-15)18(22,23)24/h7-10H,3-6H2,1-2H3