AVE3295

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Systematic / IUPAC Name: 5-Fluoro-N-[(1S)-1-phenylpropyl]-2-[(8-quinolinylsulfonyl)amino]benzamide

ID: Reference2941

Other Names: Benzamide, 5-fluoro-N-[(1S)-1-phenylpropyl]-2-[(8-quinolinylsulfonyl)amino]-

Formula: C25H22FN3O3S

Spectral Data

AVE3295 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 Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 434
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 10/20/2015 7:20:50 AM
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Identificators

InChI InChI=1S/C25H22FN3O3S/c1-2-21(17-8-4-3-5-9-17)28-25(30)20-16-19(26)13-14-22(20)29-33(31,32)23-12-6-10-18-11-7-15-27-24(18)23/h3-16,21,29H,2H2,1H3,(H,28,30)/t21-/m0/s1
InChI Key VYUUPUMKBLIKJV-NRFANRHFSA-N
Canonical SMILES CCC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)F)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4
CAS 478263988
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Other Names Benzamide, 5-fluoro-N-[(1S)-1-phenylpropyl]-2-[(8-quinolinylsulfonyl)amino]-

In Other Databases

ChEMBL CHEMBL3306573
ChemSpider 8157439
PubChem 9981849