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Oprea1_678932,Oprea1_858179,ZINC00920953,ASN 04361331,4-[4-(4-Methyl-p

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摘 要:Oprea1_678932,Oprea1_858179,ZINC00920953,ASN 04361331,4-[4-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine, 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine,Canonical SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOC
[Synonyms]
Oprea1_678932
Oprea1_858179
ZINC00920953
ASN 04361331
4-[4-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine

[Structure]
Oprea1_678932,Oprea1_858179,ZINC00920953,ASN 04361331,4-[4-(4-Methyl-p

[ Properties Computed from Structure]
Molecular Weight388.50216 [g/mol]
Molecular FormulaC16H24N2O5S2
XLogP1.2
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count4
Exact Mass388.112663
MonoIsotopic Mass388.112663
Topological Polar Surface Area84
Heavy Atom Count25
Formal Charge0
Complexity631
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: 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
Canonical SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1/C16H24N2O5S2/c1-14-6-8-17(9-7-14)24(19,
20)15-2-4-16(5-3-15)25(21,22)18-10-12-23-13-11-18/h2-5,14H,6-13H2,1H3

 
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