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NSC140310,10099-19-1, 1-[2-(phenylmethylsulfonyl)-1-piperidin-1-ylethe

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摘 要:NSC140310,10099-19-1, 1-[2-(phenylmethylsulfonyl)-1-piperidin-1-ylethenyl]piperidine,Canonical SMILES: C1CCN(CC1)C(=CS(=O)(=O)CC2=CC=CC=C2)N3CCCCC3,InChI: InChI=1/C19H28N2O2S/c22-24(23,,16-18-10-4-1-5-11-18)17-19(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h
[Synonyms]
NSC140310
10099-19-1

[Structure]
NSC140310,10099-19-1, 1-[2-(phenylmethylsulfonyl)-1-piperidin-1-ylethe

[ Properties Computed from Structure]
Molecular Weight348.50282 [g/mol]
Molecular FormulaC19H28N2O2S
XLogP4.6
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass348.187149
MonoIsotopic Mass348.187149
Topological Polar Surface Area40.6
Heavy Atom Count24
Formal Charge0
Complexity486
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: 1-[2-(phenylmethylsulfonyl)-1-piperidin-1-ylethenyl]piperidine
Canonical SMILES: C1CCN(CC1)C(=CS(=O)(=O)CC2=CC=CC=C2)N3CCCCC3
InChI: InChI=1/C19H28N2O2S/c22-24(23,
16-18-10-4-1-5-11-18)17-19(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,
10-11,17H,2-3,6-9,12-16H2

 
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