1-[2-(hydroxymethyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[2-(hydroxymethyl)-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[2-(hydroxymethyl)-1-piperidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-(2-methylolpiperidino)-2-[(4-nitrophenyl)thio]ethanone Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CO)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4S/c17-9-12-3-1-2-8-15(12)14(18)10-21-13-6-4-11(5-7-13)16(19)20/h4-7,12,17H,1-3,8-10H2