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Home Sulfos Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]-, methyl ester

Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]-, methyl ester

CAS No.:
208465-21-8
Catalog Number:
AG002JPN
Molecular Formula:
C17H21N5O9S2
Molecular Weight:
503.5067
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Product Description
Catalog Number:
AG002JPN
Chemical Name:
Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]-, methyl ester
CAS Number:
208465-21-8
Molecular Formula:
C17H21N5O9S2
Molecular Weight:
503.5067
MDL Number:
MFCD04112616
IUPAC Name:
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate
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
SMILES:
COC(=O)c1ccc(cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)CNS(=O)(=O)C
EC Number:
606-653-3
UNII:
22L00R79A6
Properties
Complexity:
876  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.078g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
503.501g/mol
Monoisotopic Mass:
503.078g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Effects of currently used pesticides and their mixtures on the function of thyroid hormone and aryl hydrocarbon receptor in cell culture. Toxicology and applied pharmacology 20150501
Multiresidue method for the determination of 13 pesticides in three environmental matrices: water, sediments and fish muscle. Talanta 20110915
Black-grass resistance to herbicides: three years of monitoring in Belgium. Communications in agricultural and applied biological sciences 20090101
Control of Alopecurus myosuroides (black-grass) resistant to mesosulfuron+iodosulfuron. Communications in agricultural and applied biological sciences 20090101
Treatment influence on herbicide resistance level of Belgian Alopecurus myosuroides populations (black-grass). Communications in agricultural and applied biological sciences 20090101
Herbicide-resistance to mesosulfuron + iodosulfuron in Alopecurus myosuroides (black-grass). Communications in agricultural and applied biological sciences 20080101
Cross-resistance profile of mesosulfuron-methyl-resistant Italian ryegrass in the southern United States. Pest management science 20070401
Properties