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Home > Nitro Compounds > 1008119-83-2
1008119-83-2 | Benzenesulfonamide, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-(1-piperidinylmethyl)-2-thiazolyl]-
CAS No: 1008119-83-2 Catalog No: AG0002XO MDL No:
Product Description
Catalog Number:
AG0002XO
Chemical Name:
Benzenesulfonamide, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-(1-piperidinylmethyl)-2-thiazolyl]-
CAS Number:
1008119-83-2
Molecular Formula:
C23H26N4O6S2
Molecular Weight:
518.6057
IUPAC Name:
3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzenesulfonamide
InChI:
InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
InChI Key:
AOZLMMDVJOGGEQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)S(=O)(=O)Nc1sc(c(n1)c1cccc(c1)[N+](=O)[O-])CN1CCCCC1
Properties
Complexity:
801
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.129g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
518.603g/mol
Monoisotopic Mass:
518.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Kynurenine 3-monooxygenase inhibition in blood ameliorates neurodegeneration. | Cell 20110610 |
| The effect of platinum analogues and combination chemotherapy on murine bladder cancer. | Transactions of the American Association of Genito-Urinary Surgeons 19790101 |
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