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10084-05-6 | Benzoic acid, 4-[[(4-methylphenyl)sulfonyl][2-(2-oxiranyl)ethyl]amino]-, ethyl ester
CAS No: 10084-05-6 Catalog No: AG000305 MDL No:
Product Description
Catalog Number:
AG000305
Chemical Name:
Benzoic acid, 4-[[(4-methylphenyl)sulfonyl][2-(2-oxiranyl)ethyl]amino]-, ethyl ester
CAS Number:
10084-05-6
Molecular Formula:
C20H23NO5S
Molecular Weight:
389.4653
IUPAC Name:
ethyl 4-[(4-methylphenyl)sulfonyl-[2-(oxiran-2-yl)ethyl]amino]benzoate
InChI:
InChI=1S/C20H23NO5S/c1-3-25-20(22)16-6-8-17(9-7-16)21(13-12-18-14-26-18)27(23,24)19-10-4-15(2)5-11-19/h4-11,18H,3,12-14H2,1-2H3
InChI Key:
RDFFQYVCTRUJES-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)CCC1CO1
NSC Number:
103068
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.13g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.466g/mol
Monoisotopic Mass:
389.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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 |
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