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

Systemtic Name: propan-2-yl 4-methyl-6-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-methyl-6-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-6-[3-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-mesitylsulfonyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C30H36N4O5S MolecularWeight: 564.69564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C30H36N4O5S/c1-18(2)39-30(36)25-23(7)31-28(24-11-9-8-10-12-24)32-26(25)29(35)33-13-14-34(22(6)17-33)40(37,38)27-20(4)15-19(3)16-21(27)5/h8-12,15-16,18,22H,13-14,17H2,1-7H3