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

Systemtic Name: methyl 2-methyl-4-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]carbonyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-isopropyl-2-methyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-2-methyl-6-(3-methyl-4-nosyl-piperazine-1-carbonyl)pyrimidine-5-carboxylic acid methyl ester Formula: C22H27N5O7S MolecularWeight: 505.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

InChI

InChI=1S/C22H27N5O7S/c1-13(2)19-18(22(29)34-5)20(24-15(4)23-19)21(28)25-10-11-26(14(3)12-25)35(32,33)17-8-6-16(7-9-17)27(30)31/h6-9,13-14H,10-12H2,1-5H3