1-(3-methyl-5-nitro-imidazol-4-yl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Formula: C15H18N6O6S MolecularWeight: 410.40502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O6S/c1-17-10-16-14(21(24)25)15(17)19-7-5-18(6-8-19)12-4-3-11(28(2,26)27)9-13(12)20(22)23/h3-4,9-10H,5-8H2,1-2H3