Chem
J-GLOBAL ID：201907012318721420
Nikkaji number：J3.739.536F
(1R,13S)-1-(クロロメチル)-11-トシル-11-アザ-14-オキサトリシクロ[11.1.0.04,9]テトラデカン-4(9),5,7-トリエン
(1R,13S)-1-(クロロメチル)-11-トシル-11-アザ-14-オキサトリシクロ[11.1.0.04,9]テトラデカン-4(9),5,7-トリエン
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
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
Molecular formula： C20H22ClNO3S
Molecular formula furigana： C20-H22-CL-N-O3-S
Molecular weight： 391.910
InChI：
InChI=1S/C20H22ClNO3S/c1-15-6-8-18(9-7-15)26(23,24)22-12-17-5-3-2-4-16(17)10-11-20(14-21)19(13-22)25-20/h2-9,19H,10-14H2,1H3/t19-,20-/m0/s1
InChI key：
ZTLGAZQSDKUFCN-PMACEKPBSA-N
SMILES：
[C@]12(CCc3ccccc3CN(C[C@@H]1O2)S(=O)(=O)c1ccc(cc1)C)CCl
Systematic name (3)：
- (1R,13S)-1-(クロロメチル)-11-トシル-11-アザ-14-オキサトリシクロ[11.1.0.04,9]テトラデカン-4(9),5,7-トリエン
- (4R,6S)-4-(クロロメチル)-8-(4-メチルベンゼンスルホニル)-5-オキサ-8-アザトリシクロ[8.4.0.04,6]テトラデカ-1(10),11,13-トリエン
- (4R,6S)-4-(chloromethyl)-8-(4-methylbenzenesulfonyl)-5-oxa-8-azatricyclo[8.4.0.04,6]tetradeca-1(10),11,13-triene
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