Analyte Name

(R)-(1-((((4-Methylphenyl)sulfonyl)oxy)methyl)-2-phenylethyl)carbamic Acid Phenylmethyl Ester-d2

Molecular Formula

C24 D2 H23 N O5 S

Molecular Weight

441.536

Accurate Mass

441.158

SMILES

[2H]C([2H])(OS(=O)(=O)c1ccc(C)cc1)C(Cc2ccccc2)NC(=O)OCc3ccccc3

InChI

InChI=1S/C24H25NO5S/c1-19-12-14-23(15-13-19)31(27,28)30-18-22(16-20-8-4-2-5-9-20)25-24(26)29-17-21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3,(H,25,26)/i18D2

IUPAC

[1,1-dideuterio-3-phenyl-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate

Unlabelled CAS Number

67857-84-5

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat