2-(3,4-dichlorophenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dichlorophenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dichlorophenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dichlorophenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dichlorophenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dichlorophenyl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethanone Formula: C19H19Cl2N3O5S MolecularWeight: 472.34226

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19Cl2N3O5S/c1-30(28,29)14-3-5-17(18(12-14)24(26)27)22-6-8-23(9-7-22)19(25)11-13-2-4-15(20)16(21)10-13/h2-5,10,12H,6-9,11H2,1H3