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ZINC00881306,BAS 02813287,2-(Benzenesulfonyl-phenyl-amino)-N-benzo[1,3

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摘 要:ZINC00881306,BAS 02813287,2-(Benzenesulfonyl-phenyl-amino)-N-benzo[1,3]dioxol-5-yl-acetamide, N-(1,3-benzodioxol-5-yl)-2-(phenyl-phenylsulfonylamino)acetamide,Canonical SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4,InChI: InCh
[Synonyms]
ZINC00881306
BAS 02813287
2-(Benzenesulfonyl-phenyl-amino)-N-benzo[1,3]dioxol-5-yl-acetamide

[Structure]
ZINC00881306,BAS 02813287,2-(Benzenesulfonyl-phenyl-amino)-N-benzo[1,3

[ Properties Computed from Structure]
Molecular Weight410.44302 [g/mol]
Molecular FormulaC21H18N2O5S
XLogP3.8
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count2
Exact Mass410.093642
MonoIsotopic Mass410.093642
Topological Polar Surface Area84.9
Heavy Atom Count29
Formal Charge0
Complexity653
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-(1,3-benzodioxol-5-yl)-2-(phenyl-phenylsulfonylamino)acetamide
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1/C21H18N2O5S/c24-21(22-16-11-12-19-20(13-16)28-15-27-19)14-23(17-
7-3-1-4-8-17)29(25,26)18-9-5-2-6-10-18/h1-13H,14-15H2,(H,22,24)/f/h22H

 
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