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

Systemtic Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H25N5O7S MolecularWeight: 491.5175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O7S/c1-5-33-21(28)18-14(3)22-15(4)23-19(18)20(27)24-10-11-25(13(2)12-24)34(31,32)17-8-6-16(7-9-17)26(29)30/h6-9,13H,5,10-12H2,1-4H3