2-(4-bromophenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromophenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromophenyl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethanone Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O5S/c1-29(27,28)16-6-7-17(18(13-16)23(25)26)21-8-10-22(11-9-21)19(24)12-14-2-4-15(20)5-3-14/h2-7,13H,8-12H2,1H3