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

Systemtic Name: ethyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-acetamidophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H31N5O6S MolecularWeight: 565.64064

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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)NC(=O)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)NC(=O)C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H31N5O6S/c1-5-39-28(36)24-25(21-9-7-6-8-10-21)29-19(3)30-26(24)27(35)32-15-16-33(18(2)17-32)40(37,38)23-13-11-22(12-14-23)31-20(4)34/h6-14,18H,5,15-17H2,1-4H3,(H,31,34)