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

Systemtic Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 2-methyl-1-(oxidanylamino)-1-oxidanylidene-butane-2-sulfinate Openeye Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanyl-1-piperidyl] 1-(hydroxyamino)-2-methyl-1-oxo-butane-2-sulfinate CAS Name: 1-(hydroxyamino)-2-methyl-1-oxo-2-butanesulfinic acid IUPAC Name: [4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidin-1-yl] 1-(hydroxyamino)-2-methyl-1-oxobutane-2-sulfinate Traditional Name: 1-(hydroxyamino)-1-keto-2-methyl-butane-2-sulfinic acid [4-[[4-(trifluoromethylthio)phenyl]thio]piperidino] ester Formula: C17H23F3N2O4S3 MolecularWeight: 472.56573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23F3N2O4S3/c1-3-16(2,15(23)21-24)29(25)26-22-10-8-13(9-11-22)27-12-4-6-14(7-5-12)28-17(18,19)20/h4-7,13,24H,3,8-11H2,1-2H3,(H,21,23)