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Home Sulfos 1-[4-(ethoxycarbonyl)benzenesulfonyl]piperidine-4-carboxylic acid

1-[4-(ethoxycarbonyl)benzenesulfonyl]piperidine-4-carboxylic acid

CAS No.:
731003-86-4
Catalog Number:
AG019INL
Molecular Formula:
C15H19NO6S
Molecular Weight:
341.3795
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Product Description
Catalog Number:
AG019INL
Chemical Name:
1-[4-(ethoxycarbonyl)benzenesulfonyl]piperidine-4-carboxylic acid
CAS Number:
731003-86-4
Molecular Formula:
C15H19NO6S
Molecular Weight:
341.3795
MDL Number:
MFCD04625525
IUPAC Name:
1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C15H19NO6S/c1-2-22-15(19)12-3-5-13(6-4-12)23(20,21)16-9-7-11(8-10-16)14(17)18/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChI Key:
SHBCZXKAFMOYMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)O
Properties
Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.093g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
341.378g/mol
Monoisotopic Mass:
341.093g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties