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

Systemtic Name: propan-2-yl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C28H29F3N4O5S MolecularWeight: 590.61387

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C28H29F3N4O5S/c1-17(2)40-27(37)23-19(4)32-25(20-9-6-5-7-10-20)33-24(23)26(36)34-13-14-35(18(3)16-34)41(38,39)22-12-8-11-21(15-22)28(29,30)31/h5-12,15,17-18H,13-14,16H2,1-4H3