[(3R,4S)-1-[(4-Carbamoylphenyl)sulfonyl]-3-(3,4-dihydro-1-isoquinolinylmethyl)-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-1-(4-Carbamoylphenyl)sulfonyl-3-(3,4-dihydroisoquinolin-1-ylmethyl)piperidin-4-yl]acetic acid

ID: Reference9964

Other Names: 4-Piperidineacetic acid, 1-[[4-(aminocarbonyl)phenyl]sulfonyl]-3-[(3,4-dihydro-1-isoquinolinyl)methyl]-, (3R,4S)-;
NAT14-346442

Formula: C24H27N3O5S

Spectral Data

[(3R,4S)-1-[(4-Carbamoylphenyl)sulfonyl]-3-(3,4-dihydro-1-isoquinolinylmethyl)-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
No. of Spectral Trees 1
No. of Spectra 694
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/1/2020 11:17:33 AM
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Identificators

InChI InChI=1S/C24H27N3O5S/c25-24(30)17-5-7-20(8-6-17)33(31,32)27-12-10-18(14-23(28)29)19(15-27)13-22-21-4-2-1-3-16(21)9-11-26-22/h1-8,18-19H,9-15H2,(H2,25,30)(H,28,29)/t18-,19-/m0/s1
InChI Key MCOJSJCCFYVPEG-OALUTQOASA-N
Canonical SMILES C1CN(CC(C1CC(=O)O)CC2=NCCC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C(=O)N
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Other Names 4-Piperidineacetic acid, 1-[[4-(aminocarbonyl)phenyl]sulfonyl]-3-[(3,4-dihydro-1-isoquinolinyl)methyl]-, (3R,4S)-;
NAT14-346442

In Other Databases

ChemSpider 29857286
PubChem 56773963