2-methylpropyl 4-methyl-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(benzenesulfonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(benzenesulfonyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-besyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O5S/c1-19(2)18-37-28(34)24-21(4)29-26(22-11-7-5-8-12-22)30-25(24)27(33)31-15-16-32(20(3)17-31)38(35,36)23-13-9-6-10-14-23/h5-14,19-20H,15-18H2,1-4H3