(5-bromanylfuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanylfuran-2-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-furyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-furanyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-bromofuran-2-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-furyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C16H16BrN3O6S MolecularWeight: 458.28374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H16BrN3O6S/c1-27(24,25)11-2-3-12(13(10-11)20(22)23)18-6-8-19(9-7-18)16(21)14-4-5-15(17)26-14/h2-5,10H,6-9H2,1H3