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

Systemtic Name: ethyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O5S/c1-8-34-24(31)21-17(3)26-18(4)27-22(21)23(30)28-13-14-29(16(2)15-28)35(32,33)20-11-9-19(10-12-20)25(5,6)7/h9-12,16H,8,13-15H2,1-7H3