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

Systemtic Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 2-methyl-1-(oxidanylamino)-1-oxidanylidene-propane-2-sulfinate Openeye Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanyl-1-piperidyl] 1-(hydroxyamino)-2-methyl-1-oxo-propane-2-sulfinate CAS Name: 1-(hydroxyamino)-2-methyl-1-oxo-2-propanesulfinic acid IUPAC Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 1-(hydroxyamino)-2-methyl-1-oxopropane-2-sulfinate Traditional Name: 1-(hydroxyamino)-1-keto-2-methyl-propane-2-sulfinic acid [4-[[4-(trifluoromethylthio)phenyl]thio]piperidino] ester Formula: C16H21F3N2O4S3 MolecularWeight: 458.53915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N2O4S3/c1-15(2,14(22)20-23)28(24)25-21-9-7-12(8-10-21)26-11-3-5-13(6-4-11)27-16(17,18)19/h3-6,12,23H,7-10H2,1-2H3,(H,20,22)