2-(5-chloranyl-2-methoxy-phenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethanone Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O6S/c1-30-19-6-3-15(21)11-14(19)12-20(25)23-9-7-22(8-10-23)17-5-4-16(31(2,28)29)13-18(17)24(26)27/h3-6,11,13H,7-10,12H2,1-2H3