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

Systemtic Name: (3-bromophenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O5S/c1-28(26,27)15-5-6-16(17(12-15)22(24)25)20-7-9-21(10-8-20)18(23)13-3-2-4-14(19)11-13/h2-6,11-12H,7-10H2,1H3