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ZINC00879712,BAS 00253788, N-[4-[acetyl-(4-chlorophenyl)sulfonylamino]

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摘 要:ZINC00879712,BAS 00253788, N-[4-[acetyl-(4-chlorophenyl)sulfonylamino]-2-chlorophenyl]-N-(4-,chlorophenyl)sulfonylacetamide,Canonical SMILES: CC(=O)N(C1=CC(=C(C=C1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl)Cl)S(=O)(=O)C3=,CC=C(C=C3)Cl,InChI: InChI=1/C22H17Cl
[Synonyms]
ZINC00879712
BAS 00253788

[Structure]
ZINC00879712,BAS 00253788, N-[4-[acetyl-(4-chlorophenyl)sulfonylamino]

[ Properties Computed from Structure]
Molecular Weight575.86918 [g/mol]
Molecular FormulaC22H17Cl3N2O6S2
XLogP4.8
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count6
Exact Mass573.959361
MonoIsotopic Mass573.959361
Topological Polar Surface Area109
Heavy Atom Count35
Formal Charge0
Complexity982
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-[4-[acetyl-(4-chlorophenyl)sulfonylamino]-2-chlorophenyl]-N-(4-
chlorophenyl)sulfonylacetamide
Canonical SMILES: CC(=O)N(C1=CC(=C(C=C1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl)Cl)S(=O)(=O)C3=
CC=C(C=C3)Cl
InChI: InChI=1/C22H17Cl3N2O6S2/c1-14(28)26(34(30,
31)19-8-3-16(23)4-9-19)18-7-12-22(21(25)13-18)27(15(2)29)35(32,
33)20-10-5-17(24)6-11-20/h3-13H,1-2H3

 
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