Methyl 5-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

enlarge

Systematic / IUPAC Name: Methyl 5-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]-1-methylpyrrole-2-carboxylate

ID: Reference8673

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

Formula: C19H25N3O4S

Spectral Data

Methyl 5-[(4-benzyl-1,4-diazepan-1-yl)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.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 2:03:41 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H25N3O4S/c1-20-17(19(23)26-2)9-10-18(20)27(24,25)22-12-6-11-21(13-14-22)15-16-7-4-3-5-8-16/h3-5,7-10H,6,11-15H2,1-2H3
InChI Key GJMSGCMHXPRQAI-UHFFFAOYSA-N
Canonical SMILES CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)C(=O)OC
CAS
Splash
Other Names 1H-Pyrrole-2-carboxylic acid, 5-[[hexahydro-4-(phenylmethyl)-1H-1,4-diazepin-1-yl]sulfonyl]-1-methyl-, methyl ester;
Methyl 5-(4-benzyl-1,4-diazepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

In Other Databases

PubChem 2810188
ChEMBL CHEMBL1711023
ChemSpider 2088606