Chem
J-GLOBAL ID：200907074981798230   Nikkaji number：J1.735.015C

H-1152

H-1152
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： C16H21N3O2S
Molecular formula furigana： C16-H21-N3-O2-S
Molecular weight： 319.420
InChI： InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
InChI key： AWDORCFLUJZUQS-ZDUSSCGKSA-N
SMILES： C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Systematic name  (4)：
  • (2S)-2-メチル-1-[(4-メチル-5-イソキノリニル)スルホニル]ヘキサヒドロ-1H-1,4-ジアゼピン
  • (2S)-2-メチル-1-[(4-メチルイソキノリン-5-イル)スルホニル]-2,3,4,5,6,7-ヘキサヒドロ-1H-1,4-ジアゼピン
  • 4-メチル-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-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline
Other name (3)：
  • (2S)-2-Methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]hexahydro-1H-1,4-diazepine
  • H-1152
  • (2S)-2-Methyl-1-[(4-methylisoquinoline-5-yl)sulfonyl]-2,3,4,5,6,7-hexahydro-1H-1,4-diazepine
CAS registry number： 451462-58-1
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