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

Systemtic Name: methyl 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(4-chloro-3-nitro-phenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-chloro-3-nitrophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-methyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylic acid methyl 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)C)C(=O)OC

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)C)C(=O)OC

InChI

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