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Oprea1_480900,Oprea1_847649,ZINC00931260,ASN 04448334,N,N-Diethyl-4-(4

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摘 要:Oprea1_480900,Oprea1_847649,ZINC00931260,ASN 04448334,N,N-Diethyl-4-(4-phenyl-piperazine-1-sulfonyl)-benzenesulfonamide, N,N-diethyl-4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide,Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC
[Synonyms]
Oprea1_480900
Oprea1_847649
ZINC00931260
ASN 04448334
N,N-Diethyl-4-(4-phenyl-piperazine-1-sulfonyl)-benzenesulfonamide

[Structure]
Oprea1_480900,Oprea1_847649,ZINC00931260,ASN 04448334,N,N-Diethyl-4-(4

[ Properties Computed from Structure]
Molecular Weight437.57608 [g/mol]
Molecular FormulaC20H27N3O4S2
XLogP2.9
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count7
Exact Mass437.144298
MonoIsotopic Mass437.144298
Topological Polar Surface Area78
Heavy Atom Count29
Formal Charge0
Complexity704
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,N-diethyl-4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide
Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3
InChI: InChI=1/C20H27N3O4S2/c1-3-22(4-2)28(24,25)19-10-12-20(13-11-19)29(26,
27)23-16-14-21(15-17-23)18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3

 
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