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Oprea1_312905,Oprea1_521250,STK048712,BAS 02811535, N-(3-chloro-4-meth

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摘 要:Oprea1_312905,Oprea1_521250,STK048712,BAS 02811535, N-(3-chloro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl],benzenesulfonamide,Canonical SMILES: CN1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3,InChI: InChI=1/C20H24ClN3O4S/c
[Synonyms]
Oprea1_312905
Oprea1_521250
STK048712
BAS 02811535

[Structure]
Oprea1_312905,Oprea1_521250,STK048712,BAS 02811535, N-(3-chloro-4-meth

[ Properties Computed from Structure]
Molecular Weight437.94026 [g/mol]
Molecular FormulaC20H24ClN3O4S
XLogP2.8
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count6
Exact Mass437.117605
MonoIsotopic Mass437.117605
Topological Polar Surface Area70.2
Heavy Atom Count29
Formal Charge0
Complexity643
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-chloro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]
benzenesulfonamide
Canonical SMILES: CN1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C20H24ClN3O4S/c1-22-10-12-23(13-11-22)20(25)15-24(16-8-9-19(28-
2)18(21)14-16)29(26,27)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3

 
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