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

Systemtic Name: methyl 4-[4-[2,5-bis(chloranyl)phenyl]sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2,5-dichlorophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H28Cl2N4O5S MolecularWeight: 591.50602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

InChI

InChI=1S/C27H28Cl2N4O5S/c1-16(2)23-22(27(35)38-4)24(31-25(30-23)18-8-6-5-7-9-18)26(34)32-12-13-33(17(3)15-32)39(36,37)21-14-19(28)10-11-20(21)29/h5-11,14,16-17H,12-13,15H2,1-4H3