4-({4-[(6-Chloro-1-Benzothiophen-2-Yl)Sulfonyl]-2-Oxo-1-Piperazinyl}Methyl)Benzenecarboximidamide

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Properties Simple | Detailed

Formula C20H19ClN4O3S2
IUPAC Name 4-[[(4s)-4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]benzamidine
Molecular Mass 462.973 g·mol−1
Heat of Formation -182.9 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 507.25 Å 3
Surface Area 411.52 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
  • 4-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-keto-piperazin-1-yl]methyl]benzamidine
  • 4-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]benzamidine
  • 4-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]benzenecarboximidamide
  • 4-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide
  • 4-[[4-[(6-chloro-2-benzothiophenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzamidine
  • rtr
InChIKey VXONTEUOQXFJJS-UHFFFAOYSA-N
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