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117309-46-3 | Benzeneacetic acid, α-[[(4-methoxyphenyl)sulfonyl]amino]-, (S)- (9CI)
CAS No: 117309-46-3 Catalog No: AG000E3T MDL No:MFCD00172801
Product Description
Catalog Number:
AG000E3T
Chemical Name:
Benzeneacetic acid, α-[[(4-methoxyphenyl)sulfonyl]amino]-, (S)- (9CI)
CAS Number:
117309-46-3
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
MDL Number:
MFCD00172801
IUPAC Name:
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
InChI:
InChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)
InChI Key:
AFNBBRUKSKERPY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N[C@@H](c1ccccc1)C(=O)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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