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

Systemtic Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 2,4-dimethyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-(3-methyl-4-nosyl-piperazine-1-carbonyl)pyrimidine-5-carboxylic acid isobutyl ester Formula: C23H29N5O7S MolecularWeight: 519.57066

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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(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O7S/c1-14(2)13-35-23(30)20-16(4)24-17(5)25-21(20)22(29)26-10-11-27(15(3)12-26)36(33,34)19-8-6-18(7-9-19)28(31)32/h6-9,14-15H,10-13H2,1-5H3