Rigosertib

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Formula C21H25NO8S
IUPAC Name 2-[2-methoxy-5-[[(e)-2-(2,4,6-trimethoxyphenyl)vinyl]sulfonylmethyl]anilino]acetic acid
Molecular Mass 451.490 g·mol−1
Heat of Formation -1126.7 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 516.53 Å 3
Surface Area 458.59 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2-methoxy-5-[[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]acetic acid
  • 2-[[2-methoxy-5-[[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]ethanoic acid
  • 2-[[2-methoxy-5-[[(e)-2-(2,4,6-trimethoxyphenyl)vinyl]sulfonylmethyl]phenyl]amino]acetic acid
InChIKey OWBFCJROIKNMGD-BQYQJAHWSA-N
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