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22964-45-0 | Acetamide, N-[3-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]phenyl]-
CAS No: 22964-45-0 Catalog No: AG002LQF MDL No:
Product Description
Catalog Number:
AG002LQF
Chemical Name:
Acetamide, N-[3-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]phenyl]-
CAS Number:
22964-45-0
Molecular Formula:
C14H22N2O7S2
Molecular Weight:
394.4637
IUPAC Name:
2-[3-acetamido-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
InChI:
InChI=1S/C14H22N2O7S2/c1-12(17)15-13-5-4-6-14(11-13)16(7-9-22-24(2,18)19)8-10-23-25(3,20)21/h4-6,11H,7-10H2,1-3H3,(H,15,17)
InChI Key:
JKIKOACAXPEUOC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
NSC Number:
104967
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.087g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.457g/mol
Monoisotopic Mass:
394.087g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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