N-(3-Amino-3-oxopropyl)-4,5-dihydroxy-3-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)-1-cyclohexene-1-carboxamide

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Systematic / IUPAC Name: N-(3-Amino-3-oxopropyl)-4,5-dihydroxy-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]cyclohexene-1-carboxamide

ID: Reference9529

Other Names: 1-Cyclohexene-1-carboxamide, N-(3-amino-3-oxopropyl)-4,5-dihydroxy-3-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]-;
NAT2-252326

Formula: C17H20F3N3O6S

Spectral Data

N-(3-Amino-3-oxopropyl)-4,5-dihydroxy-3-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)-1-cyclohexene-1-carboxamide 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 1848
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2020 4:56:20 PM
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Identificators

InChI InChI=1S/C17H20F3N3O6S/c18-17(19,20)10-2-1-3-11(8-10)30(28,29)23-12-6-9(7-13(24)15(12)26)16(27)22-5-4-14(21)25/h1-3,6,8,12-13,15,23-24,26H,4-5,7H2,(H2,21,25)(H,22,27)
InChI Key AGZIJVDFAKIMKI-UHFFFAOYSA-N
Canonical SMILES C1C(C(C(C=C1C(=O)NCCC(=O)N)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)O)O
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Other Names 1-Cyclohexene-1-carboxamide, N-(3-amino-3-oxopropyl)-4,5-dihydroxy-3-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]-;
NAT2-252326

In Other Databases

PubChem 3811752
ChemSpider 3038570