2-(2-chloranyl-4-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-chloro-4-nitro-phenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-chloro-4-nitrophenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-chloro-4-nitrophenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(2-chloro-4-nitro-phenoxy)ethanone Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O6S/c19-16-12-14(22(24)25)6-7-17(16)28-13-18(23)20-8-10-21(11-9-20)29(26,27)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2