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

Systemtic Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]pyrimidine-5-carboxylic acid isobutyl ester Formula: C24H29F3N4O5S MolecularWeight: 542.57107

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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)C)C)C(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29F3N4O5S/c1-14(2)13-36-23(33)20-16(4)28-17(5)29-21(20)22(32)30-9-10-31(15(3)12-30)37(34,35)19-8-6-7-18(11-19)24(25,26)27/h6-8,11,14-15H,9-10,12-13H2,1-5H3