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N-(3,5-dichlorophenyl)-2-[(2,3,5,,6-tetramethylphenyl)sulfonylamino]b

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摘 要: N-(3,5-dichlorophenyl)-2-[(2,3,5,,6-tetramethylphenyl)sulfonylamino]benzenecarboximidate,Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=NC3=CC(=CC(=C3)Cl)Cl)[O-])C)C,InChI: InChI=1/C23H22Cl2N2O3S/c1-13-9-14(2)16(4)22(15(13)3)31(29,,30)27
[Synonyms]

[Structure]
 N-(3,5-dichlorophenyl)-2-[(2,3,5,,6-tetramethylphenyl)sulfonylamino]b

[ Properties Computed from Structure]
Molecular Weight476.39544 [g/mol]
Molecular FormulaC23H21Cl2N2O3S-
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count3
Exact Mass475.064994
MonoIsotopic Mass475.064994
Topological Polar Surface Area81.6
Heavy Atom Count31
Formal Charge-1
Complexity718
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: N-(3,5-dichlorophenyl)-2-[(2,3,5,
6-tetramethylphenyl)sulfonylamino]benzenecarboximidate
Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=NC3=CC(=CC(=C3)Cl)Cl)[O-])C)C
InChI: InChI=1/C23H22Cl2N2O3S/c1-13-9-14(2)16(4)22(15(13)3)31(29,
30)27-21-8-6-5-7-20(21)23(28)26-19-11-17(24)10-18(25)12-19/h5-12,27H,
1-4H3,(H,26,28)/p-1/fC23H21Cl2N2O3S/q-1/b26-23-

 
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