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Oprea1_113046,Oprea1_135202,ZINC00922910,ASN 04364212,4-[4-(4-Fluoro-p

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摘 要:Oprea1_113046,Oprea1_135202,ZINC00922910,ASN 04364212,4-[4-(4-Fluoro-phenyl)-piperazine-1-sulfonyl]-N,N-dimethyl-benzenesulfonamide, 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N,,N-dimethylbenzenesulfonamide,Canonical SMILES: CN(C)S(=O)(=O)C1=CC=C(
[Synonyms]
Oprea1_113046
Oprea1_135202
ZINC00922910
ASN 04364212
4-[4-(4-Fluoro-phenyl)-piperazine-1-sulfonyl]-N,N-dimethyl-benzenesulfonamide

[Structure]
Oprea1_113046,Oprea1_135202,ZINC00922910,ASN 04364212,4-[4-(4-Fluoro-p

[ Properties Computed from Structure]
Molecular Weight427.513383 [g/mol]
Molecular FormulaC18H22FN3O4S2
XLogP2.2
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count5
Exact Mass427.103576
MonoIsotopic Mass427.103576
Topological Polar Surface Area78
Heavy Atom Count28
Formal Charge0
Complexity709
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: 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N,
N-dimethylbenzenesulfonamide
Canonical SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F
InChI: InChI=1/C18H22FN3O4S2/c1-20(2)27(23,24)17-7-9-18(10-8-17)28(25,
26)22-13-11-21(12-14-22)16-5-3-15(19)4-6-16/h3-10H,11-14H2,1-2H3

 
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