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CAS Number: 1046815-91-1
2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

Structure

2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Name: 2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Synonyms:
General Information
Product Number: 1046815-91-1

CAS Registry Number 1046815-91-1
Name:
6-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​2-​(methylsulfonyl)​-

 

Chemical Formula: C11H13NO4S
Exact Mass: 255.06
Molecular Weight: 255.29
m/z: 255.06 (100.0%), 256.06 (13.0%), 257.05 (4.5%), 257.06 (1.6%)

 

InChI:InChI=1S/C11H13NO4S/c1-17(15,16)12-5-4-8-6-9(11(13)14)2-3-10(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,13,14)

InChI Key:BSHUHHKUJLGOES-UHFFFAOYSA-N

Canonical SMILES:CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)O

Specification

98%

References

PCT Int. Appl. (2008), WO 2008097428 A2 20080814. 

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