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

Systemtic Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 2,4-dimethyl-6-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 4-(4-mesitylsulfonyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C26H36N4O5S MolecularWeight: 516.65284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C26H36N4O5S/c1-15(2)14-35-26(32)22-20(7)27-21(8)28-23(22)25(31)29-9-10-30(19(6)13-29)36(33,34)24-17(4)11-16(3)12-18(24)5/h11-12,15,19H,9-10,13-14H2,1-8H3