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Home Sulfos 4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid

4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid

CAS No.:
750613-28-6
Catalog Number:
AG00ICLL
Molecular Formula:
C17H17NO5S
Molecular Weight:
347.3856
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Product Description
Catalog Number:
AG00ICLL
Chemical Name:
4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid
CAS Number:
750613-28-6
Molecular Formula:
C17H17NO5S
Molecular Weight:
347.3856
MDL Number:
MFCD03655861
IUPAC Name:
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid
InChI:
InChI=1S/C17H17NO5S/c1-23-15-9-8-13(17(19)20)11-16(15)24(21,22)18-10-4-6-12-5-2-3-7-14(12)18/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20)
InChI Key:
SOWMMLZAHCJTDH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N1CCCc2c1cccc2)C(=O)O
Properties
Complexity:
558  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.083g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
347.385g/mol
Monoisotopic Mass:
347.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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