propan-2-yl 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(4-chloro-3-nitro-phenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-chloro-3-nitrophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C22H26ClN5O7S MolecularWeight: 539.98914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O7S/c1-12(2)35-22(30)19-14(4)24-15(5)25-20(19)21(29)26-8-9-27(13(3)11-26)36(33,34)16-6-7-17(23)18(10-16)28(31)32/h6-7,10,12-13H,8-9,11H2,1-5H3