1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-one

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-one Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-one CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-piperidinone IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-one Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-piperidone Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(=O)CC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(=O)CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c1-20(18,19)10-2-3-11(12(8-10)14(16)17)13-6-4-9(15)5-7-13/h2-3,8H,4-7H2,1H3