Mesosulfuron-methyl

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Systematic / IUPAC Name: Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate

ID: Reference3340

Other Names: Methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-4-{[(methylsulfonyl)amino]methyl}benzoate;
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate

Formula: C17H21N5O9S2

Class: Pesticides/Herbicides

Spectral Data

Mesosulfuron-methyl 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 Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 3887
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/12/2015 11:59:19 AM
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Identificators

InChI InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)
InChI Key NIFKBBMCXCMCAO-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC
CAS 208465218
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Other Names Methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-4-{[(methylsulfonyl)amino]methyl}benzoate;
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate

In Other Databases

ChemSpider 9584394
PubChem 11409499
ChEMBL CHEMBL1883630