CAS Registry Number: 253168-94-4

Name:

Benzenemethanamine, 3-​ethoxy-​4-​methoxy-​α-​[(methylsulfonyl)​methyl]​-
1-​(3-​Ethoxy-​4-​methoxyphenyl)​-​2-​methylsulfonylethyla​mine 

Chemical Formula: C12H19NO4S
Exact Mass: 273.10
Molecular Weight: 273.35
m/z: 273.10 (100.0%), 274.11 (13.3%), 275.10 (4.6%), 275.11 (1.8%), 274.10 (1.2%)

InChI: InChI=1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3
InChIKey: BXUJVINGXQGNFD-UHFFFAOYSA-N
Canonical SMILES : CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC

Specification

98%

PCT Int. Appl. (2014), WO 2014074846 A1 20140515.                                 

PCT Int. Appl. (2012), WO 2012149251 A1 20121101.