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

Systemtic Name: ethyl 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H31F3N4O5S MolecularWeight: 604.64045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C29H31F3N4O5S/c1-4-10-23-24(28(38)41-5-2)25(34-26(33-23)20-11-7-6-8-12-20)27(37)35-15-16-36(19(3)18-35)42(39,40)22-14-9-13-21(17-22)29(30,31)32/h6-9,11-14,17,19H,4-5,10,15-16,18H2,1-3H3