Home Sulfos methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate

methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate

CAS No.:
1000931-00-9
Catalog Number:
AG019KXX
Molecular Formula:
C22H22N2O5S
Molecular Weight:
426.4855
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Product Description
Catalog Number:
AG019KXX
Chemical Name:
methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate
CAS Number:
1000931-00-9
Molecular Formula:
C22H22N2O5S
Molecular Weight:
426.4855
MDL Number:
MFCD09802106
IUPAC Name:
methyl 4-[[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
InChI:
InChI=1S/C22H22N2O5S/c1-28-20-9-11-21(12-10-20)30(26,27)24(16-18-4-3-13-23-14-18)15-17-5-7-19(8-6-17)22(25)29-2/h3-14H,15-16H2,1-2H3
InChI Key:
SJGWWYLTWATUEV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)Cc1ccc(cc1)C(=O)OC
Properties
Complexity:
634  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.125g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.487g/mol
Monoisotopic Mass:
426.125g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties