2-(5-methyl-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5-methyl-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5-methyl-2-nitrophenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5-methyl-2-nitrophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5-methyl-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H20N4O8S MolecularWeight: 464.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O8S/c1-14-5-6-17(23(27)28)18(11-14)31-13-19(24)20-7-9-21(10-8-20)32(29,30)16-4-2-3-15(12-16)22(25)26/h2-6,11-12H,7-10,13H2,1H3