[4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 2-methyl-1-(oxidanylamino)-1-oxidanylidene-3-phenyl-propane-2-sulfinate

Systemtic Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 2-methyl-1-(oxidanylamino)-1-oxidanylidene-3-phenyl-propane-2-sulfinate Openeye Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanyl-1-piperidyl] 1-(hydroxyamino)-2-methyl-1-oxo-3-phenyl-propane-2-sulfinate CAS Name: 1-(hydroxyamino)-2-methyl-1-oxo-3-phenyl-2-propanesulfinic acid IUPAC Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 1-(hydroxyamino)-2-methyl-1-oxo-3-phenylpropane-2-sulfinate Traditional Name: 1-(hydroxyamino)-1-keto-2-methyl-3-phenyl-propane-2-sulfinic acid [4-[[4-(trifluoromethylthio)phenyl]thio]piperidino] ester Formula: C22H25F3N2O4S3 MolecularWeight: 534.63511

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NO)S(=O)ON2CCC(CC2)SC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NO)S(=O)ON2CCC(CC2)SC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C22H25F3N2O4S3/c1-21(20(28)26-29,15-16-5-3-2-4-6-16)34(30)31-27-13-11-18(12-14-27)32-17-7-9-19(10-8-17)33-22(23,24)25/h2-10,18,29H,11-15H2,1H3,(H,26,28)