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STK318334 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridi

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摘 要:STK318334 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-,ylmethyl)acetamide,Canonical SMILES: CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl,InChI: InChI=1/C16H18ClN3O4S/c1-20(11-16(21)19-10-12-5-3-4-8-18-12)25(22,,23)13-6-7-15
[Synonyms]
STK318334
[Structure]
STK318334 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridi

[ Properties Computed from Structure]
Molecular Weight383.84982 [g/mol]
Molecular FormulaC16H18ClN3O4S
XLogP1.4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count2
Exact Mass383.070654
MonoIsotopic Mass383.070654
Topological Polar Surface Area88.6
Heavy Atom Count25
Formal Charge0
Complexity540
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: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-
ylmethyl)acetamide
Canonical SMILES: CN(CC(=O)NCC1=CC=CC=N1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl
InChI: InChI=1/C16H18ClN3O4S/c1-20(11-16(21)19-10-12-5-3-4-8-18-12)25(22,
23)13-6-7-15(24-2)14(17)9-13/h3-9H,10-11H2,1-2H3,(H,19,21)/f/h19H

 
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