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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(p-tolylsulfonyl)piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-(3-methyl-4-tosyl-piperazine-1-carbonyl)-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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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=CC=C(C=C3)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=CC=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O5S/c1-5-36-27(33)23-24(21-9-7-6-8-10-21)28-20(4)29-25(23)26(32)30-15-16-31(19(3)17-30)37(34,35)22-13-11-18(2)12-14-22/h6-14,19H,5,15-17H2,1-4H3