(E)-6-(4-(2-(((4-Chlorophenyl)Sulfonyl)Amino)Ethyl)Phenyl)-6-(3-Pyridyl)Hex-5-Enoic Acid

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Properties Simple | Detailed

Formula C25H25ClN2O4S
IUPAC Name (e)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid
Molecular Mass 484.995 g·mol−1
Heat of Formation -456.6 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 564.46 Å 3
Surface Area 492.41 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-6-(p-(2-(p-chlorobenzenesulfonamido)ethyl)phenyl)-6-(3-pyridyl)-5-hexenoic acid
  • (e)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid
  • (e)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid
  • 6-(4-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridyl)hex-5-enoic acid
  • samixogrel
CAS Number(s)
  • 133276-80-9
InChIKey LGHLGTHRJNIRCA-ZXKDJJQISA-N
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