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89369-45-9 | Benzoic acid,2-[[2-[(methylsulfonyl)amino]benzoyl]amino]-, ethyl ester
CAS No: 89369-45-9 Catalog No: AG003X4G MDL No:
Product Description
Catalog Number:
AG003X4G
Chemical Name:
Benzoic acid,2-[[2-[(methylsulfonyl)amino]benzoyl]amino]-, ethyl ester
CAS Number:
89369-45-9
Molecular Formula:
C17H18N2O5S
Molecular Weight:
362.4002
IUPAC Name:
ethyl 2-[[2-(methanesulfonamido)benzoyl]amino]benzoate
InChI:
InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-9-5-6-10-14(13)18-16(20)12-8-4-7-11-15(12)19-25(2,22)23/h4-11,19H,3H2,1-2H3,(H,18,20)
InChI Key:
MHDUPYHBAPIONE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C
EC Number:
289-495-4
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.4g/mol
Monoisotopic Mass:
362.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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