1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-one

Systemtic Name: 1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-one Openeye Name: 1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-one CAS Name: 1-[(4-nitrophenyl)methylsulfonyl]-4-piperidinone IUPAC Name: 1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-one Traditional Name: 1-(4-nitrobenzyl)sulfonyl-4-piperidone Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1=O)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c15-12-5-7-13(8-6-12)20(18,19)9-10-1-3-11(4-2-10)14(16)17/h1-4H,5-9H2