1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonyl-2-nitro-phenyl)sulfonyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonyl-2-nitro-phenyl)sulfonyl-ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonyl-2-nitro-phenyl)sulfonyl-ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-(4-methylsulfonyl-2-nitrophenyl)sulfonylethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonyl-2-nitrophenyl)sulfonylethanone Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfonyl-1-(4-methylpiperazino)ethanone Formula: C14H19N3O7S2 MolecularWeight: 405.44656

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O7S2/c1-15-5-7-16(8-6-15)14(18)10-26(23,24)13-4-3-11(25(2,21)22)9-12(13)17(19)20/h3-4,9H,5-8,10H2,1-2H3