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Home > Nitro Compounds > 73036-51-8
73036-51-8 | 4-anilino-n-butyl-3-nitrobenzenesulfonamide
CAS No: 73036-51-8 Catalog No: AG005CKT MDL No:
Product Description
Catalog Number:
AG005CKT
Chemical Name:
4-anilino-n-butyl-3-nitrobenzenesulfonamide
CAS Number:
73036-51-8
Molecular Formula:
C16H19N3O4S
Molecular Weight:
349.4048
IUPAC Name:
1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene
InChI:
InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3
InChI Key:
WCERJEZPIONOJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1CCCCNc1ccccc1)S(=O)(=O)N
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.22g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.514g/mol
Monoisotopic Mass:
416.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Synthesis of a magnosalin derivative, 4-(3,4,5-trimethoxyphenyl)-6-(2,4,5-trimethoxyphenyl)-2-diethylaminopyrimidine, and the anti-angiogenic and anti-rheumatic effect on mice by oral administration. | Bioorganic & medicinal chemistry letters 20020225 |
| Two neolignans from Perilla frutescens and their inhibition of nitric oxide synthase and tumor necrosis factor-alpha expression in murine macrophage cell line RAW 264.7. | Bioorganic & medicinal chemistry letters 20020225 |
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