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ZINC00879640,BAS 02052850,N-(4-Ethylsulfamoyl-phenyl)-2,6-dimethoxy-be

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摘 要:ZINC00879640,BAS 02052850,N-(4-Ethylsulfamoyl-phenyl)-2,6-dimethoxy-benzamide, N-[4-(ethylsulfamoyl)phenyl]-2,6-dimethoxybenzamide,Canonical SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC,InChI: InChI=1/C17H20N2O5S/c1-4-18-25(21,,22)13-10-8
[Synonyms]
ZINC00879640
BAS 02052850
N-(4-Ethylsulfamoyl-phenyl)-2,6-dimethoxy-benzamide

[Structure]
ZINC00879640,BAS 02052850,N-(4-Ethylsulfamoyl-phenyl)-2,6-dimethoxy-be

[ Properties Computed from Structure]
Molecular Weight364.4161 [g/mol]
Molecular FormulaC17H20N2O5S
XLogP2.1
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count2
Exact Mass364.109292
MonoIsotopic Mass364.109292
Topological Polar Surface Area93.7
Heavy Atom Count25
Formal Charge0
Complexity514
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-(ethylsulfamoyl)phenyl]-2,6-dimethoxybenzamide
Canonical SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC
InChI: InChI=1/C17H20N2O5S/c1-4-18-25(21,
22)13-10-8-12(9-11-13)19-17(20)16-14(23-2)6-5-7-15(16)24-3/h5-11,18H,
4H2,1-3H3,(H,19,20)/f/h19H

 
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