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Oprea1_706578,ZINC00921561,BAS 03774673,AO-081/40671636,N-Benzyl-4-flu

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摘 要:Oprea1_706578,ZINC00921561,BAS 03774673,AO-081/40671636,N-Benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide, 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)-N-(phenylmethyl),benzenesulfonamide,Canonical SMILES: C1COCCN1C(=O)CN(CC2=CC=CC=C2
[Synonyms]
Oprea1_706578
ZINC00921561
BAS 03774673
AO-081/40671636
N-Benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide

[Structure]
Oprea1_706578,ZINC00921561,BAS 03774673,AO-081/40671636,N-Benzyl-4-flu

[ Properties Computed from Structure]
Molecular Weight392.444443 [g/mol]
Molecular FormulaC19H21FN2O4S
XLogP1.9
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count6
Exact Mass392.120606
MonoIsotopic Mass392.120606
Topological Polar Surface Area66.9
Heavy Atom Count27
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)-N-(phenylmethyl)
benzenesulfonamide
Canonical SMILES: C1COCCN1C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1/C19H21FN2O4S/c20-17-6-8-18(9-7-17)27(24,
25)22(14-16-4-2-1-3-5-16)15-19(23)21-10-12-26-13-11-21/h1-9H,10-15H2

 
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