Home Sulfos Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate

Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate

CAS No.:
100627-39-2
Catalog Number:
AG0002IR
Molecular Formula:
C21H25NO6S
Molecular Weight:
419.4913
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$147
- +
250mg
95%
In Stock USA
United States
$252
- +
1g
95%
In Stock USA
United States
$504
- +
5g
95%
In Stock USA
United States
$1512
- +
Product Description
Catalog Number:
AG0002IR
Chemical Name:
Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
CAS Number:
100627-39-2
Molecular Formula:
C21H25NO6S
Molecular Weight:
419.4913
MDL Number:
MFCD00666419
IUPAC Name:
methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate
InChI:
InChI=1S/C21H25NO6S/c1-4-28-20(23)10-7-15-22(19-9-6-5-8-18(19)21(24)27-3)29(25,26)17-13-11-16(2)12-14-17/h5-6,8-9,11-14H,4,7,10,15H2,1-3H3
InChI Key:
MJSQCFDXCIVWRA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1C(=O)OC
NSC Number:
105685
Properties
Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.14g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.492g/mol
Monoisotopic Mass:
419.14g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties