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ChemDiv3_006835,STK144026,ZINC00640292,IDI1_024745,AO-081/42496828, N-

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摘 要:ChemDiv3_006835,STK144026,ZINC00640292,IDI1_024745,AO-081/42496828, N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,,4-dimethylbenzenesulfonamide,Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC(=NO2)C3=CC=C(C=C3)Cl,InChI: InChI=1/C17H16ClN3
[Synonyms]
ChemDiv3_006835
STK144026
ZINC00640292
IDI1_024745
AO-081/42496828

[Structure]
ChemDiv3_006835,STK144026,ZINC00640292,IDI1_024745,AO-081/42496828, N-

[ Properties Computed from Structure]
Molecular Weight377.84524 [g/mol]
Molecular FormulaC17H16ClN3O3S
XLogP4
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count5
Exact Mass377.06009
MonoIsotopic Mass377.06009
Topological Polar Surface Area76.3
Heavy Atom Count25
Formal Charge0
Complexity526
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-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,
4-dimethylbenzenesulfonamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC(=NO2)C3=CC=C(C=C3)Cl
InChI: InChI=1/C17H16ClN3O3S/c1-12-3-9-15(10-4-12)25(22,
23)21(2)11-16-19-17(20-24-16)13-5-7-14(18)8-6-13/h3-10H,11H2,1-2H3

 
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