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Oprea1_478818,Oprea1_577136,BAS 02825335,N-[2-(4-Methyl-piperazin-1-yl

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摘 要:Oprea1_478818,Oprea1_577136,BAS 02825335,N-[2-(4-Methyl-piperazin-1-yl)-2-oxo-ethyl]-N-phenyl-benzenesulfonamide, N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide,Canonical SMILES: CN1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=
[Synonyms]
Oprea1_478818
Oprea1_577136
BAS 02825335
N-[2-(4-Methyl-piperazin-1-yl)-2-oxo-ethyl]-N-phenyl-benzenesulfonamide

[Structure]
Oprea1_478818,Oprea1_577136,BAS 02825335,N-[2-(4-Methyl-piperazin-1-yl

[ Properties Computed from Structure]
Molecular Weight373.46922 [g/mol]
Molecular FormulaC19H23N3O3S
XLogP2.2
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count5
Exact Mass373.146012
MonoIsotopic Mass373.146012
Topological Polar Surface Area60.9
Heavy Atom Count26
Formal Charge0
Complexity555
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-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
Canonical SMILES: CN1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C19H23N3O3S/c1-20-12-14-21(15-13-20)19(23)16-22(17-8-4-2-5-9-17)
26(24,25)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3

 
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