2-{(3S)-1-[4-(Methylsulfonyl)benzyl]-3-pyrrolidinyl}-1,3-benzothiazole

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Systematic / IUPAC Name: 2-[(3S)-1-[(4-Methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3-benzothiazole

ID: Reference10390

Other Names: Benzothiazole, 2-[(3S)-1-[[4-(methylsulfonyl)phenyl]methyl]-3-pyrrolidinyl]-;
NAT31-457008

Formula: C19H20N2O2S2

Spectral Data

2-{(3S)-1-[4-(Methylsulfonyl)benzyl]-3-pyrrolidinyl}-1,3-benzothiazole 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 410
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2021 9:22:51 AM
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Identificators

InChI InChI=1S/C19H20N2O2S2/c1-25(22,23)16-8-6-14(7-9-16)12-21-11-10-15(13-21)19-20-17-4-2-3-5-18(17)24-19/h2-9,15H,10-13H2,1H3/t15-/m0/s1
InChI Key WPGJITJJSAPNSD-HNNXBMFYSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CN2CCC(C2)C3=NC4=CC=CC=C4S3
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Other Names Benzothiazole, 2-[(3S)-1-[[4-(methylsulfonyl)phenyl]methyl]-3-pyrrolidinyl]-;
NAT31-457008

In Other Databases

PubChem 51137092
ChemSpider 29849995