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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-(3-methyl-4-nosyl-piperazine-1-carbonyl)-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H27N5O7S MolecularWeight: 553.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O7S/c1-4-38-26(33)22-23(19-8-6-5-7-9-19)27-18(3)28-24(22)25(32)29-14-15-30(17(2)16-29)39(36,37)21-12-10-20(11-13-21)31(34)35/h5-13,17H,4,14-16H2,1-3H3