1-({[4-(6-Chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

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Systematic / IUPAC Name: 1-({[4-(6-Chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

ID: Reference4444

Other Names: 1-{[4-(6-Chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one;
Bicyclo[2.2.1]heptan-2-one, 1-({[4-(6-chloro-2-benzothiazolyl)hexahydro-1H-1,4-diazepin-1-yl]sulfonyl}methyl)-7,7-dimethyl-

Formula: C22H28ClN3O3S2

Spectral Data

1-({[4-(6-Chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/7/2016 10:37:50 AM
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Identificators

InChI InChI=1S/C22H28ClN3O3S2/c1-21(2)15-6-7-22(21,19(27)12-15)14-31(28,29)26-9-3-8-25(10-11-26)20-24-17-5-4-16(23)13-18(17)30-20/h4-5,13,15H,3,6-12,14H2,1-2H3
InChI Key QUTDQZSMLGPYOM-UHFFFAOYSA-N
Canonical SMILES CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCCN(CC3)C4=NC5=C(S4)C=C(C=C5)Cl)C
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Other Names 1-{[4-(6-Chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one;
Bicyclo[2.2.1]heptan-2-one, 1-({[4-(6-chloro-2-benzothiazolyl)hexahydro-1H-1,4-diazepin-1-yl]sulfonyl}methyl)-7,7-dimethyl-

In Other Databases

PubChem 2796192
ChemSpider 2075067