Methyl 5-{[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

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Systematic / IUPAC Name: Methyl 5-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

ID: Reference4394

Other Names: 1H-Pyrrole-2-carboxylic acid, 5-{[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl}-1-methyl-, methyl ester ;
Methyl 5-[(2H-1,3-benzodioxol-5-ylmethyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

Formula: C15H16N2O6S

Spectral Data

Methyl 5-{[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl}-1-methyl-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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/31/2016 11:32:09 AM
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Identificators

InChI InChI=1S/C15H16N2O6S/c1-17-11(15(18)21-2)4-6-14(17)24(19,20)16-8-10-3-5-12-13(7-10)23-9-22-12/h3-7,16H,8-9H2,1-2H3
InChI Key YHTGWVOFCIZXRK-UHFFFAOYSA-N
Canonical SMILES CN1C(=CC=C1S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)OC
CAS
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Other Names 1H-Pyrrole-2-carboxylic acid, 5-{[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl}-1-methyl-, methyl ester ;
Methyl 5-[(2H-1,3-benzodioxol-5-ylmethyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

In Other Databases

ChemSpider 2088603
PubChem 2810185