Chem
J-GLOBAL ID：200907091688673890   Nikkaji number：J1.802.304K

(S)-2-[(4S)-1-Tosyl-5β-(3-methyl-1-butenyl)piperidine-4α-yl]-3-butenoic acid methyl ester

(S)-2-[(4S)-1-トシル-5β-(3-メチル-1-ブテニル)ピペリジン-4α-イル]-3-ブテン酸メチル
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： C22H31NO4S
Molecular formula furigana： C22-H31-N-O4-S
Molecular weight： 405.550
InChI： InChI=1S/C22H31NO4S/c1-6-20(22(24)27-5)21-13-14-23(15-18(21)10-7-16(2)3)28(25,26)19-11-8-17(4)9-12-19/h6-12,16,18,20-21H,1,13-15H2,2-5H3/t18-,20-,21-/m0/s1
InChI key： XXHWGSAKCAPDLP-JBACZVJFSA-N
SMILES： COC(=O)[C@@H](C=C)[C@H]1CCN(C[C@@H]1C=CC(C)C)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • (S)-2-[(4S)-1-トシル-5β-(3-メチル-1-ブテニル)ピペリジン-4α-イル]-3-ブテン酸メチル
  • メチル (2S)-2-[(3R,4S)-1-(4-メチルベンゼンスルホニル)-3-(3-メチルブタ-1-エン-1-イル)ピペリジン-4-イル]ブタ-3-エノアート
  • methyl (2S)-2-[(3R,4S)-1-(4-methylbenzenesulfonyl)-3-(3-methylbut-1-en-1-yl)piperidin-4-yl]but-3-enoate
Other name (1)：
  • (S)-2-[(4S)-1-Tosyl-5β-(3-methyl-1-butenyl)piperidine-4α-yl]-3-butenoic acid methyl ester
Thsaurus map：
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