1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(N=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(N=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O6S/c1-14-4-7-18(15(2)12-14)31(28,29)23-10-8-22(9-11-23)19(25)13-30-17-6-5-16(3)21-20(17)24(26)27/h4-7,12H,8-11,13H2,1-3H3