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1233-56-3 | Benzeneacetic acid, α-[[(4-methylphenyl)sulfonyl]amino]-, methyl ester
CAS No: 1233-56-3 Catalog No: AG000KB3 MDL No:MFCD00664343
Product Description
Catalog Number:
AG000KB3
Chemical Name:
Benzeneacetic acid, α-[[(4-methylphenyl)sulfonyl]amino]-, methyl ester
CAS Number:
1233-56-3
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
MDL Number:
MFCD00664343
IUPAC Name:
methyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
InChI:
InChI=1S/C16H17NO4S/c1-12-8-10-14(11-9-12)22(19,20)17-15(16(18)21-2)13-6-4-3-5-7-13/h3-11,15,17H,1-2H3
InChI Key:
RUYIDMOVZKCDIJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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