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

Systemtic Name: [4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl] 1-(oxidanylamino)-1-oxidanylidene-2-phenyl-propane-2-sulfinate Openeye Name: [4-[4-(trifluoromethyl)phenyl]sulfanyl-1-piperidyl] 1-(hydroxyamino)-1-oxo-2-phenyl-propane-2-sulfinate CAS Name: 1-(hydroxyamino)-1-oxo-2-phenyl-2-propanesulfinic acid IUPAC Name: [4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl] 1-(hydroxyamino)-1-oxo-2-phenylpropane-2-sulfinate Traditional Name: 1-(hydroxyamino)-1-keto-2-phenyl-propane-2-sulfinic acid [4-[[4-(trifluoromethyl)phenyl]thio]piperidino] ester Formula: C21H23F3N2O4S2 MolecularWeight: 488.54353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O4S2/c1-20(19(27)25-28,15-5-3-2-4-6-15)32(29)30-26-13-11-18(12-14-26)31-17-9-7-16(8-10-17)21(22,23)24/h2-10,18,28H,11-14H2,1H3,(H,25,27)