[4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 1-(oxidanylamino)-1-oxidanylidene-propane-2-sulfinate

Systemtic Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 1-(oxidanylamino)-1-oxidanylidene-propane-2-sulfinate Openeye Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanyl-1-piperidyl] 1-(hydroxyamino)-1-oxo-propane-2-sulfinate CAS Name: 1-(hydroxyamino)-1-oxo-2-propanesulfinic acid IUPAC Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 1-(hydroxyamino)-1-oxopropane-2-sulfinate Traditional Name: 1-(hydroxyamino)-1-keto-propane-2-sulfinic acid [4-[[4-(trifluoromethylthio)phenyl]thio]piperidino] ester Formula: C15H19F3N2O4S3 MolecularWeight: 444.51257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NO)S(=O)ON1CCC(CC1)SC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CC(C(=O)NO)S(=O)ON1CCC(CC1)SC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C15H19F3N2O4S3/c1-10(14(21)19-22)27(23)24-20-8-6-12(7-9-20)25-11-2-4-13(5-3-11)26-15(16,17)18/h2-5,10,12,22H,6-9H2,1H3,(H,19,21)