{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(4-fluorophenyl)sulfonyl]-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-(4-fluorophenyl)sulfonylpiperidin-4-yl]acetic acid

ID: Reference8830

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-1-[(4-fluorophenyl)sulfonyl]-, (3R,4S)-;
NAT14-502007

Formula: C25H29FN2O6S

Spectral Data

{(3R,4S)-3-[(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-[(4-fluorophenyl)sulfonyl]-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 2378
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/7/2019 7:54:05 AM
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Identificators

InChI InChI=1S/C25H29FN2O6S/c1-33-23-12-17-7-9-27-22(21(17)14-24(23)34-2)11-18-15-28(10-8-16(18)13-25(29)30)35(31,32)20-5-3-19(26)4-6-20/h3-6,12,14,16,18H,7-11,13,15H2,1-2H3,(H,29,30)/t16-,18-/m0/s1
InChI Key LEMZTYZMAWUEPM-WMZOPIPTSA-N
Canonical SMILES COC1=C(C=C2C(=C1)CCN=C2CC3CN(CCC3CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F)OC
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Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]-1-[(4-fluorophenyl)sulfonyl]-, (3R,4S)-;
NAT14-502007

In Other Databases

ChemSpider 29857359
PubChem 51136637