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ZINC00920271,BAS 03654594,4-(1,8-Diethyl-naphthalene-2-sulfonyl)-morph

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摘 要:ZINC00920271,BAS 03654594,4-(1,8-Diethyl-naphthalene-2-sulfonyl)-morpholine, 4-(1,8-diethylnaphthalen-2-yl)sulfonylmorpholine,Canonical SMILES: CCC1=CC=CC2=C1C(=C(C=C2)S(=O)(=O)N3CCOCC3)CC,InChI: InChI=1/C18H23NO3S/c1-3-14-6-5-7-15-8-9-17(16(4-2)18(1
[Synonyms]
ZINC00920271
BAS 03654594
4-(1,8-Diethyl-naphthalene-2-sulfonyl)-morpholine

[Structure]
ZINC00920271,BAS 03654594,4-(1,8-Diethyl-naphthalene-2-sulfonyl)-morph

[ Properties Computed from Structure]
Molecular Weight333.44512 [g/mol]
Molecular FormulaC18H23NO3S
XLogP3.6
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass333.139864
MonoIsotopic Mass333.139864
Topological Polar Surface Area46.6
Heavy Atom Count23
Formal Charge0
Complexity481
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-(1,8-diethylnaphthalen-2-yl)sulfonylmorpholine
Canonical SMILES: CCC1=CC=CC2=C1C(=C(C=C2)S(=O)(=O)N3CCOCC3)CC
InChI: InChI=1/C18H23NO3S/c1-3-14-6-5-7-15-8-9-17(16(4-2)18(14)15)23(20,
21)19-10-12-22-13-11-19/h5-9H,3-4,10-13H2,1-2H3

 
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