2-Methoxy-4-(methylsulfanyl)-N-{2,3,5-trihydroxy-5-[(2-oxo-3-piperidinyl)carbamoyl]cyclohexyl}benzamide

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Systematic / IUPAC Name: 2-Methoxy-4-methylsulfanyl-N-[2,3,5-trihydroxy-5-[(2-oxopiperidin-3-yl)carbamoyl]cyclohexyl]benzamide

ID: Reference9528

Other Names: Benzamide, 2-methoxy-4-(methylthio)-N-[2,3,5-trihydroxy-5-[[(2-oxo-3-piperidinyl)amino]carbonyl]cyclohexyl]-;
NAT2-252668

Formula: C21H29N3O7S

Spectral Data

2-Methoxy-4-(methylsulfanyl)-N-{2,3,5-trihydroxy-5-[(2-oxo-3-piperidinyl)carbamoyl]cyclohexyl}benzamide 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 1284
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2020 4:54:43 PM
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Identificators

InChI InChI=1S/C21H29N3O7S/c1-31-16-8-11(32-2)5-6-12(16)18(27)23-14-9-21(30,10-15(25)17(14)26)20(29)24-13-4-3-7-22-19(13)28/h5-6,8,13-15,17,25-26,30H,3-4,7,9-10H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)
InChI Key WQEJICBIHYLXCQ-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)SC)C(=O)NC2CC(CC(C2O)O)(C(=O)NC3CCCNC3=O)O
CAS
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Other Names Benzamide, 2-methoxy-4-(methylthio)-N-[2,3,5-trihydroxy-5-[[(2-oxo-3-piperidinyl)amino]carbonyl]cyclohexyl]-;
NAT2-252668

In Other Databases

ChemSpider 3082827
PubChem 3857815