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

Systemtic Name: ethyl 4-[4-[2,5-bis(chloranyl)phenyl]sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H30Cl2N4O5S MolecularWeight: 605.5326

Click to see the large picture

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)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C28H30Cl2N4O5S/c1-4-9-22-24(28(36)39-5-2)25(32-26(31-22)19-10-7-6-8-11-19)27(35)33-14-15-34(18(3)17-33)40(37,38)23-16-20(29)12-13-21(23)30/h6-8,10-13,16,18H,4-5,9,14-15,17H2,1-3H3