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447459-51-0 | N-[(1S)-1-[4-[[4-Methoxy-2-[(4-methoxyphenyl)sulfonyl]phenyl]sulfonyl]phenyl]ethyl]methanesulfonamide
CAS No: 447459-51-0 Catalog No: AG01ENIE MDL No:
Product Description
Catalog Number:
AG01ENIE
Chemical Name:
N-[(1S)-1-[4-[[4-Methoxy-2-[(4-methoxyphenyl)sulfonyl]phenyl]sulfonyl]phenyl]ethyl]methanesulfonamide
CAS Number:
447459-51-0
Molecular Formula:
C23H25NO8S3
Molecular Weight:
539.6415
IUPAC Name:
N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
InChI:
InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1
InChI Key:
NXODIUKWAVUFGF-INIZCTEOSA-N
SMILES:
COc1ccc(c(c1)S(=O)(=O)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)[C@@H](NS(=O)(=O)C)C
Properties
Complexity:
995
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
539.074g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
539.632g/mol
Monoisotopic Mass:
539.074g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| A novel cannabinoid peripheral cannabinoid receptor-selective inverse agonist blocks leukocyte recruitment in vivo. | The Journal of pharmacology and experimental therapeutics 20060201 |
| Triaryl bis-sulfones as a new class of cannabinoid CB2 receptor inhibitors: identification of a lead and initial SAR studies. | Bioorganic & medicinal chemistry letters 20050201 |
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