(5-methylsulfanyl-2-nitro-phenyl)-(4-oxidanylpiperidin-1-yl)methanone

Systemtic Name: (5-methylsulfanyl-2-nitro-phenyl)-(4-oxidanylpiperidin-1-yl)methanone Openeye Name: (4-hydroxy-1-piperidyl)-(5-methylsulfanyl-2-nitro-phenyl)methanone CAS Name: (4-hydroxy-1-piperidinyl)-[5-(methylthio)-2-nitrophenyl]methanone IUPAC Name: (4-hydroxypiperidin-1-yl)-(5-methylsulfanyl-2-nitrophenyl)methanone Traditional Name: (4-hydroxypiperidino)-[5-(methylthio)-2-nitro-phenyl]methanone Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)O

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)O

InChI

InChI=1S/C13H16N2O4S/c1-20-10-2-3-12(15(18)19)11(8-10)13(17)14-6-4-9(16)5-7-14/h2-3,8-9,16H,4-7H2,1H3