Ethyl 3,5-dimethyl-4-{[(2-oxo-3-azepanyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate

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Systematic / IUPAC Name: Ethyl 3,5-dimethyl-4-[(2-oxo-3-azepanyl)sulfamoyl]-1H-pyrrole-2-carboxylate

ID: Reference4155

Other Names: 1H-Pyrrole-2-carboxylic acid, 4-{[(hexahydro-2-oxo-1H-azepin-3-yl)amino]sulfonyl}-3,5-dimethyl-, ethyl ester ;
ethyl 3,5-dimethyl-4-{[(2-oxo-3-azepanyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate

Formula: C15H23N3O5S

Spectral Data

Ethyl 3,5-dimethyl-4-{[(2-oxo-3-azepanyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/11/2016 7:35:42 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H23N3O5S/c1-4-23-15(20)12-9(2)13(10(3)17-12)24(21,22)18-11-7-5-6-8-16-14(11)19/h11,17-18H,4-8H2,1-3H3,(H,16,19)
InChI Key NBYKYHVFFYMNIV-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(C(=C(N1)C)S(=O)(=O)NC2CCCCNC2=O)C
CAS
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Other Names 1H-Pyrrole-2-carboxylic acid, 4-{[(hexahydro-2-oxo-1H-azepin-3-yl)amino]sulfonyl}-3,5-dimethyl-, ethyl ester ;
ethyl 3,5-dimethyl-4-{[(2-oxo-3-azepanyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate

In Other Databases

PubChem 2738687
ChemSpider 2020312