1-(4-methylsulfonylpiperazin-1-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone Formula: C17H24N4O9S2 MolecularWeight: 492.52386

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O9S2/c1-31(25,26)19-6-4-18(5-7-19)17(22)13-30-16-3-2-14(12-15(16)21(23)24)32(27,28)20-8-10-29-11-9-20/h2-3,12H,4-11,13H2,1H3