ethyl 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H27F3N4O5S MolecularWeight: 576.58729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C)C4=CC=CC=C4

InChI

InChI=1S/C27H27F3N4O5S/c1-4-39-26(36)22-23(19-9-6-5-7-10-19)31-18(3)32-24(22)25(35)33-13-14-34(17(2)16-33)40(37,38)21-12-8-11-20(15-21)27(28,29)30/h5-12,15,17H,4,13-14,16H2,1-3H3