3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one

Systemtic Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one Openeye Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one CAS Name: 3-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Traditional Name: 3-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC4CCCC(C3)C4=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC4CCCC(C3)C4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-31(29,30)17-5-6-18(19(13-17)24(27)28)22-7-9-23(10-8-22)21(26)16-11-14-3-2-4-15(12-16)20(14)25/h5-6,13-16H,2-4,7-12H2,1H3