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

Systemtic Name: propan-2-yl 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C22H27FN4O5S MolecularWeight: 478.536983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O5S/c1-13(2)32-22(29)19-15(4)24-16(5)25-20(19)21(28)26-10-11-27(14(3)12-26)33(30,31)18-8-6-17(23)7-9-18/h6-9,13-14H,10-12H2,1-5H3