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

Systemtic Name: methyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C31H38N4O5S MolecularWeight: 578.72222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O5S/c1-20(2)26-25(30(37)40-7)27(33-28(32-26)22-11-9-8-10-12-22)29(36)34-17-18-35(21(3)19-34)41(38,39)24-15-13-23(14-16-24)31(4,5)6/h8-16,20-21H,17-19H2,1-7H3