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

Systemtic Name: 2-methoxyethyl 4-methyl-6-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-methyl-6-[3-methyl-4-(p-tolylsulfonyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-methyl-6-[3-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-methyl-4-tosyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C28H32N4O6S MolecularWeight: 552.64188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCCOC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCCOC

InChI

InChI=1S/C28H32N4O6S/c1-19-10-12-23(13-11-19)39(35,36)32-15-14-31(18-20(32)2)27(33)25-24(28(34)38-17-16-37-4)21(3)29-26(30-25)22-8-6-5-7-9-22/h5-13,20H,14-18H2,1-4H3