Chem
J-GLOBAL ID：201307038820018940   Nikkaji number：J3.122.028I

4-Fluoro-5-[[(2S)-2-methylhexahydro-1H-1,4-diazepine-1-yl]sulfonyl]isoquinoline

4-フルオロ-5-{[(2S)-2-メチル-1,4-ジアゼパン-1-イル]スルホニル}イソキノリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C15H18FN3O2S
Molecular formula furigana： C15-H18-F-N3-O2-S
Molecular weight： 323.390
InChI： InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1
InChI key： QSKQVZWVLOIIEV-NSHDSACASA-N
SMILES： C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12
Systematic name  (4)：
  • 4-フルオロ-5-[[(2S)-2β-メチルヘキサヒドロ-1H-1,4-ジアゼピン-1-イル]スルホニル]イソキノリン
  • 4-フルオロ-5-[[(2S)-2-メチルヘキサヒドロ-1H-1,4-ジアゼピン-1-イル]スルホニル]イソキノリン
  • 4-フルオロ-5-{[(2S)-2-メチル-1,4-ジアゼパン-1-イル]スルホニル}イソキノリン
  • 4-fluoro-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline
Other name (2)：
  • 4-Fluoro-5-[[(2S)-2β-methylhexahydro-1H-1,4-diazepine-1-yl]sulfonyl]isoquinoline
  • 4-Fluoro-5-[[(2S)-2-methylhexahydro-1H-1,4-diazepine-1-yl]sulfonyl]isoquinoline
CAS registry number： 223645-67-8
Thsaurus map：
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