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NSC173932,Quinoline, 1,2-dihydro-6-methoxy-2-methyl-1-[(4-methylphenyl

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摘 要:NSC173932,Quinoline, 1,2-dihydro-6-methoxy-2-methyl-1-[(4-methylphenyl)sulfonyl]-,34129-50-5, 6-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline,Canonical SMILES: CC1C=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)OC,InChI: InChI=1/C18H19NO3S/c1-1
[Synonyms]
NSC173932
Quinoline, 1,2-dihydro-6-methoxy-2-methyl-1-[(4-methylphenyl)sulfonyl]-
34129-50-5

[Structure]
NSC173932,Quinoline, 1,2-dihydro-6-methoxy-2-methyl-1-[(4-methylphenyl

[ Properties Computed from Structure]
Molecular Weight329.41336 [g/mol]
Molecular FormulaC18H19NO3S
XLogP4.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass329.108564
MonoIsotopic Mass329.108564
Topological Polar Surface Area46.6
Heavy Atom Count23
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
Canonical SMILES: CC1C=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)OC
InChI: InChI=1/C18H19NO3S/c1-13-4-9-17(10-5-13)23(20,
21)19-14(2)6-7-15-12-16(22-3)8-11-18(15)19/h4-12,14H,1-3H3

 
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