2-(4-nitrophenyl)sulfanyl-1-(3-oxidanylpiperidin-1-yl)ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-(3-oxidanylpiperidin-1-yl)ethanone Openeye Name: 1-(3-hydroxy-1-piperidyl)-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-(3-hydroxy-1-piperidinyl)-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-(3-hydroxypiperidin-1-yl)-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-(3-hydroxypiperidino)-2-[(4-nitrophenyl)thio]ethanone Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H16N2O4S/c16-11-2-1-7-14(8-11)13(17)9-20-12-5-3-10(4-6-12)15(18)19/h3-6,11,16H,1-2,7-9H2