[[2-bromanyl-4-(2-piperidin-1-ylethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(2-piperidin-1-ylethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[2-(1-piperidyl)ethylsulfanylmethyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[[2-(1-piperidinyl)ethylthio]methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(2-piperidin-1-ylethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(2-piperidinoethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C15H21BrF2NO3PS MolecularWeight: 444.271707

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1CCN(CC1)CCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C15H21BrF2NO3PS/c16-14-10-12(4-5-13(14)15(17,18)23(20,21)22)11-24-9-8-19-6-2-1-3-7-19/h4-5,10H,1-3,6-9,11H2,(H2,20,21,22)