Methyl 1-methyl-5-({4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

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Systematic / IUPAC Name: Methyl 1-methyl-5-({4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

ID: Reference3948

Other Names: Methyl 1-methyl-5-{4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-sulfonyl}-1H-pyrrole-2-carboxylate;
1H-Pyrrole-2-carboxylic acid, 5-[[hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepin-1-yl]sulfonyl]-1-methyl-, methyl ester

Formula: C18H21F3N4O4S

Spectral Data

Methyl 1-methyl-5-({4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/24/2016 1:28:02 PM
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Identificators

InChI InChI=1S/C18H21F3N4O4S/c1-23-14(17(26)29-2)5-7-16(23)30(27,28)25-9-3-8-24(10-11-25)15-6-4-13(12-22-15)18(19,20)21/h4-7,12H,3,8-11H2,1-2H3
InChI Key LUEYGDYODHAIHA-UHFFFAOYSA-N
Canonical SMILES CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)OC
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Other Names Methyl 1-methyl-5-{4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-sulfonyl}-1H-pyrrole-2-carboxylate;
1H-Pyrrole-2-carboxylic acid, 5-[[hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepin-1-yl]sulfonyl]-1-methyl-, methyl ester

In Other Databases

PubChem 2810197
ChemSpider 2088615