1-[4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]sulfonylphenyl]ethanone Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c1-12(22)13-3-5-14(6-4-13)27(25,26)20-9-7-19(8-10-20)16-15(21(23)24)17-11-18(16)2/h3-6,11H,7-10H2,1-2H3