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83439-56-9 | 2,4,6-Trimethyl-1-(4-sulfamoylphenyl)-1?5-pyridin-1-ylium perchlorate
CAS No: 83439-56-9 Catalog No: AG01EXLH MDL No:
Product Description
Catalog Number:
AG01EXLH
Chemical Name:
2,4,6-Trimethyl-1-(4-sulfamoylphenyl)-1?5-pyridin-1-ylium perchlorate
CAS Number:
83439-56-9
Molecular Formula:
C14H17ClN2O6S
Molecular Weight:
376.8126
IUPAC Name:
4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide;perchlorate
InChI:
InChI=1S/C14H17N2O2S.ClHO4/c1-10-8-11(2)16(12(3)9-10)13-4-6-14(7-5-13)19(15,17)18;2-1(3,4)5/h4-9H,1-3H3,(H2,15,17,18);(H,2,3,4,5)/q+1;/p-1
InChI Key:
AJBZTFFKRXFWJS-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)cc([n+]1c1ccc(cc1)S(=O)(=O)N)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.808g/mol
Monoisotopic Mass:
376.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrase inhibitors: the first selective, membrane-impermeant inhibitors targeting the tumor-associated isozyme IX. | Bioorganic & medicinal chemistry letters 20040223 |
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