Chem
J-GLOBAL ID:200907048424683658   Nikkaji number:J2.578.879F

(4-Methylphenyl)carbamic acid 2-(4-tosyl-7-oxohexahydro-1H-1,4-diazepine-1-yl)ethyl ester

(4-メチルフェニル)カルバミド酸2-(4-トシル-7-オキソヘキサヒドロ-1H-1,4-ジアゼピン-1-イル)エチル
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: C22H27N3O5S
Molecular formula furigana: C22-H27-N3-O5-S
Molecular weight: 445.530
InChI: InChI=1S/C22H27N3O5S/c1-17-3-7-19(8-4-17)23-22(27)30-16-15-24-13-14-25(12-11-21(24)26)31(28,29)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,23,27)
InChI key: FYOJSRMYWYSNDG-UHFFFAOYSA-N
SMILES: Cc1ccc(NC(=O)OCCN2CCN(CCC2=O)S(=O)(=O)c2ccc(C)cc2)cc1
Systematic name  (3):
  • (4-メチルフェニル)カルバミド酸2-(4-トシル-7-オキソヘキサヒドロ-1H-1,4-ジアゼピン-1-イル)エチル
  • 2-[4-(4-メチルベンゼンスルホニル)-7-オキソ-1,4-ジアゼパン-1-イル]エチル N-(4-メチルフェニル)カルバマート
  • 2-[4-(4-methylbenzenesulfonyl)-7-oxo-1,4-diazepan-1-yl]ethyl N-(4-methylphenyl)carbamate
Other name (1):
  • (4-Methylphenyl)carbamic acid 2-(4-tosyl-7-oxohexahydro-1H-1,4-diazepine-1-yl)ethyl ester
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