Systematic / IUPAC Name: Methyl 1,2,5-trimethyl-4-(4-morpholinylsulfonyl)-1H-pyrrole-3-carboxylate
ID: Reference4336
Other Names: 1H-Pyrrole-3-carboxylic acid, 1,2,5-trimethyl-4-(4-morpholinylsulfonyl)-, methyl ester
Formula: C13H20N2O5S
Methyl 1,2,5-trimethyl-4-(morpholinosulfonyl)-1H-pyrrole-3-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/22/2016 11:28:02 AM |
InChI | InChI=1S/C13H20N2O5S/c1-9-11(13(16)19-4)12(10(2)14(9)3)21(17,18)15-5-7-20-8-6-15/h5-8H2,1-4H3 |
InChI Key | LHKYKQFOTWOHSB-UHFFFAOYSA-N |
Canonical SMILES | CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCOCC2)C(=O)OC |
CAS | |
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Other Names | 1H-Pyrrole-3-carboxylic acid, 1,2,5-trimethyl-4-(4-morpholinylsulfonyl)-, methyl ester |
ChemSpider | 2024397 |
PubChem | 2742869 |
ChEMBL | CHEMBL2144928 |