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

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C29H31F3N4O5S MolecularWeight: 604.64045

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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)OCC(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)OCC(C)C

InChI

InChI=1S/C29H31F3N4O5S/c1-18(2)17-41-28(38)24-20(4)33-26(21-9-6-5-7-10-21)34-25(24)27(37)35-13-14-36(19(3)16-35)42(39,40)23-12-8-11-22(15-23)29(30,31)32/h5-12,15,18-19H,13-14,16-17H2,1-4H3