[2-(hydroxymethyl)piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [2-(hydroxymethyl)piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [2-(hydroxymethyl)-1-piperidyl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [2-(hydroxymethyl)-1-piperidinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [2-(hydroxymethyl)piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: (2-methylolpiperidino)-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCCCC2CO)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCCCC2CO)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4S/c1-21-13-6-5-10(8-12(13)16(19)20)14(18)15-7-3-2-4-11(15)9-17/h5-6,8,11,17H,2-4,7,9H2,1H3