tert-Butyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate

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Systematic / IUPAC Name: tert-Butyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate

ID: Reference6011

Other Names: 2-Methyl-2-propanyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate;
1H-1,4-Diazepine-1-carboxylic acid, 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)hexahydro-, 1,1-dimethylethyl ester

Formula: C16H22N4O4S2

Spectral Data

tert-Butyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/16/2016 2:48:06 PM
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Identificators

InChI InChI=1S/C16H22N4O4S2/c1-16(2,3)24-15(21)19-8-5-9-20(11-10-19)26(22,23)13-7-4-6-12-14(13)18-25-17-12/h4,6-7H,5,8-11H2,1-3H3
InChI Key HCBUAINOFGOILU-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32
CAS
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Other Names 2-Methyl-2-propanyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepane-1-carboxylate;
1H-1,4-Diazepine-1-carboxylic acid, 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)hexahydro-, 1,1-dimethylethyl ester

In Other Databases

PubChem 2815539
ChemSpider 2093903