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

Systemtic Name: 2-methylpropyl 4-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H29FN4O5S MolecularWeight: 492.563563

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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)OCC(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)OCC(C)C

InChI

InChI=1S/C23H29FN4O5S/c1-14(2)13-33-23(30)20-16(4)25-17(5)26-21(20)22(29)27-10-11-28(15(3)12-27)34(31,32)19-8-6-18(24)7-9-19/h6-9,14-15H,10-13H2,1-5H3