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Home Sulfos 1-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]piperidine-4-carboxylic acid

1-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]piperidine-4-carboxylic acid

CAS No.:
726151-51-5
Catalog Number:
AG019HUZ
Molecular Formula:
C16H21N3O7S
Molecular Weight:
399.4188
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Product Description
Catalog Number:
AG019HUZ
Chemical Name:
1-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]piperidine-4-carboxylic acid
CAS Number:
726151-51-5
Molecular Formula:
C16H21N3O7S
Molecular Weight:
399.4188
MDL Number:
MFCD03964558
IUPAC Name:
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C16H21N3O7S/c20-16(21)12-3-5-17(6-4-12)14-2-1-13(11-15(14)19(22)23)27(24,25)18-7-9-26-10-8-18/h1-2,11-12H,3-10H2,(H,20,21)
InChI Key:
FYVCDSDONYOVAZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1
Properties
Complexity:
646  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.11g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.418g/mol
Monoisotopic Mass:
399.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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