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Home Sulfos methyl 4-[2-amino-4-(piperidine-1-sulfonyl)phenoxy]benzoate

methyl 4-[2-amino-4-(piperidine-1-sulfonyl)phenoxy]benzoate

CAS No.:
735322-72-2
Catalog Number:
AG019IIJ
Molecular Formula:
C19H22N2O5S
Molecular Weight:
390.4534
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Product Description
Catalog Number:
AG019IIJ
Chemical Name:
methyl 4-[2-amino-4-(piperidine-1-sulfonyl)phenoxy]benzoate
CAS Number:
735322-72-2
Molecular Formula:
C19H22N2O5S
Molecular Weight:
390.4534
MDL Number:
MFCD04614723
IUPAC Name:
methyl 4-(2-amino-4-piperidin-1-ylsulfonylphenoxy)benzoate
InChI:
InChI=1S/C19H22N2O5S/c1-25-19(22)14-5-7-15(8-6-14)26-18-10-9-16(13-17(18)20)27(23,24)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12,20H2,1H3
InChI Key:
KHOIAHNAKYMANE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Oc1ccc(cc1N)S(=O)(=O)N1CCCCC1
Properties
Complexity:
592  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.125g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
390.454g/mol
Monoisotopic Mass:
390.125g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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