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

Systemtic Name: ethyl 4-[4-[2,5-bis(chloranyl)phenyl]sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H26Cl2N4O5S MolecularWeight: 577.47944

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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=C(C=CC(=C3)Cl)Cl)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26Cl2N4O5S/c1-4-37-26(34)22-23(18-8-6-5-7-9-18)29-17(3)30-24(22)25(33)31-12-13-32(16(2)15-31)38(35,36)21-14-19(27)10-11-20(21)28/h5-11,14,16H,4,12-13,15H2,1-3H3