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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-mesitylsulfonyl-3-methyl-piperazine-1-carbonyl)-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O5S/c1-7-38-29(35)24-25(23-11-9-8-10-12-23)30-22(6)31-26(24)28(34)32-13-14-33(21(5)17-32)39(36,37)27-19(3)15-18(2)16-20(27)4/h8-12,15-16,21H,7,13-14,17H2,1-6H3