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

Systemtic Name: 2-methylpropyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-acetamidophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C30H35N5O6S MolecularWeight: 593.6938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N5O6S/c1-19(2)18-41-30(38)26-21(4)31-28(23-9-7-6-8-10-23)33-27(26)29(37)34-15-16-35(20(3)17-34)42(39,40)25-13-11-24(12-14-25)32-22(5)36/h6-14,19-20H,15-18H2,1-5H3,(H,32,36)