[(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-(2-thienylsulfonyl)-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1-thiophen-2-ylsulfonylpiperidin-4-yl]acetic acid

ID: Reference8834

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-1-(2-thienylsulfonyl)-, (3R,4S)-;
NAT14-502013

Formula: C23H28N2O6S2

Spectral Data

[(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-(2-thienylsulfonyl)-4-piperidinyl]acetic acid 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 Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2394
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2019 7:56:54 AM
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Identificators

InChI InChI=1S/C23H28N2O6S2/c1-30-20-11-16-5-7-24-19(18(16)13-21(20)31-2)10-17-14-25(8-6-15(17)12-22(26)27)33(28,29)23-4-3-9-32-23/h3-4,9,11,13,15,17H,5-8,10,12,14H2,1-2H3,(H,26,27)/t15-,17-/m0/s1
InChI Key PKXIAXSKVKZBIN-RDJZCZTQSA-N
Canonical SMILES COC1=C(C=C2C(=C1)CCN=C2CC3CN(CCC3CC(=O)O)S(=O)(=O)C4=CC=CS4)OC
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Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-1-(2-thienylsulfonyl)-, (3R,4S)-;
NAT14-502013

In Other Databases

ChemSpider 29857363
PubChem 51136643