2-(6-methyl-2-nitro-pyridin-3-yl)oxy-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(6-methyl-2-nitro-pyridin-3-yl)oxy-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(4-besylpiperazino)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-14-7-8-16(18(19-14)22(24)25)28-13-17(23)20-9-11-21(12-10-20)29(26,27)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3