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NSC156840,ZINC00805419,BAS 00131388,ST072339,EU-0067320,56934-07-7, N-

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摘 要:NSC156840,ZINC00805419,BAS 00131388,ST072339,EU-0067320,56934-07-7, N-[4-[[4-(phenylsulfonylamino)phenyl]methyl]phenyl]benzenesulfonamide,Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4,InChI: InChI=1/C25H22N
[Synonyms]
NSC156840
ZINC00805419
BAS 00131388
ST072339
EU-0067320
56934-07-7

[Structure]
NSC156840,ZINC00805419,BAS 00131388,ST072339,EU-0067320,56934-07-7, N-

[ Properties Computed from Structure]
Molecular Weight478.58318 [g/mol]
Molecular FormulaC25H22N2O4S2
XLogP5
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count8
Exact Mass478.102099
MonoIsotopic Mass478.102099
Topological Polar Surface Area92.3
Heavy Atom Count33
Formal Charge0
Complexity722
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-[[4-(phenylsulfonylamino)phenyl]methyl]phenyl]benzenesulfonamide
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4
InChI: InChI=1/C25H22N2O4S2/c28-32(29,
24-7-3-1-4-8-24)26-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)27-33
(30,31)25-9-5-2-6-10-25/h1-18,26-27H,19H2

 
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