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Oprea1_267065,Oprea1_746888,MLS000703267,BAS 02825080,SMR000273731,N-[

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摘 要:Oprea1_267065,Oprea1_746888,MLS000703267,BAS 02825080,SMR000273731,N-[2-(4-Methyl-piperazin-1-yl)-2-oxo-ethyl]-N-m-tolyl-benzenesulfonamide, N-(3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl],benzenesulfonamide,Canonical SMILES: CC1=CC(=CC=
[Synonyms]
Oprea1_267065
Oprea1_746888
MLS000703267
BAS 02825080
SMR000273731
N-[2-(4-Methyl-piperazin-1-yl)-2-oxo-ethyl]-N-m-tolyl-benzenesulfonamide

[Structure]
Oprea1_267065,Oprea1_746888,MLS000703267,BAS 02825080,SMR000273731,N-[

[ Properties Computed from Structure]
Molecular Weight387.4958 [g/mol]
Molecular FormulaC20H25N3O3S
XLogP2.7
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count5
Exact Mass387.161662
MonoIsotopic Mass387.161662
Topological Polar Surface Area60.9
Heavy Atom Count27
Formal Charge0
Complexity590
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-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]
benzenesulfonamide
Canonical SMILES: CC1=CC(=CC=C1)N(CC(=O)N2CCN(CC2)C)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C20H25N3O3S/c1-17-7-6-8-18(15-17)23(27(25,
26)19-9-4-3-5-10-19)16-20(24)22-13-11-21(2)12-14-22/h3-10,15H,11-14,
16H2,1-2H3

 
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