2-(2-nitropyridin-3-yl)oxy-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-nitropyridin-3-yl)oxy-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(4-besylpiperazino)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O6S/c22-16(13-27-15-7-4-8-18-17(15)21(23)24)19-9-11-20(12-10-19)28(25,26)14-5-2-1-3-6-14/h1-8H,9-13H2