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ZINC00879978,BAS 02809107,2-(Benzenesulfonyl-m-tolyl-amino)-N-(2-trifl

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摘 要:ZINC00879978,BAS 02809107,2-(Benzenesulfonyl-m-tolyl-amino)-N-(2-trifluoromethyl-phenyl)-acetamide, 2-[(3-methylphenyl)-phenylsulfonylamino]-N-[2-(trifluoromethyl)phenyl],acetamide,Canonical SMILES: CC1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O
[Synonyms]
ZINC00879978
BAS 02809107
2-(Benzenesulfonyl-m-tolyl-amino)-N-(2-trifluoromethyl-phenyl)-acetamide

[Structure]
ZINC00879978,BAS 02809107,2-(Benzenesulfonyl-m-tolyl-amino)-N-(2-trifl

[ Properties Computed from Structure]
Molecular Weight448.45807 [g/mol]
Molecular FormulaC22H19F3N2O3S
XLogP5.4
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count6
Tautomer Count2
Exact Mass448.106848
MonoIsotopic Mass448.106848
Topological Polar Surface Area66.5
Heavy Atom Count31
Formal Charge0
Complexity702
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: 2-[(3-methylphenyl)-phenylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]
acetamide
Canonical SMILES: CC1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C22H19F3N2O3S/c1-16-8-7-9-17(14-16)27(31(29,
30)18-10-3-2-4-11-18)15-21(28)26-20-13-6-5-12-19(20)22(23,24)25/h2-14H,
15H2,1H3,(H,26,28)/f/h26H

 
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