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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N5O7S/c1-5-7-19-20(23(30)35-6-2)21(25-16(4)24-19)22(29)26-12-13-27(15(3)14-26)36(33,34)18-10-8-17(9-11-18)28(31)32/h8-11,15H,5-7,12-14H2,1-4H3