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

Systemtic Name: ethyl 4-[4-[2,5-bis(chloranyl)phenyl]sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28Cl2N4O5S MolecularWeight: 543.46322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

InChI

InChI=1S/C23H28Cl2N4O5S/c1-5-7-18-20(23(31)34-6-2)21(27-15(4)26-18)22(30)28-10-11-29(14(3)13-28)35(32,33)19-12-16(24)8-9-17(19)25/h8-9,12,14H,5-7,10-11,13H2,1-4H3