[3-(hydroxymethyl)piperidin-1-yl]-(5-methylsulfanyl-2-nitro-phenyl)methanone

Systemtic Name: [3-(hydroxymethyl)piperidin-1-yl]-(5-methylsulfanyl-2-nitro-phenyl)methanone Openeye Name: [3-(hydroxymethyl)-1-piperidyl]-(5-methylsulfanyl-2-nitro-phenyl)methanone CAS Name: [3-(hydroxymethyl)-1-piperidinyl]-[5-(methylthio)-2-nitrophenyl]methanone IUPAC Name: [3-(hydroxymethyl)piperidin-1-yl]-(5-methylsulfanyl-2-nitrophenyl)methanone Traditional Name: (3-methylolpiperidino)-[5-(methylthio)-2-nitro-phenyl]methanone Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)CO

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)CO

InChI

InChI=1S/C14H18N2O4S/c1-21-11-4-5-13(16(19)20)12(7-11)14(18)15-6-2-3-10(8-15)9-17/h4-5,7,10,17H,2-3,6,8-9H2,1H3