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Oprea1_300051,Oprea1_467803,ZINC00922884, N-methyl-4-morpholin-4-ylsul

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摘 要:Oprea1_300051,Oprea1_467803,ZINC00922884, N-methyl-4-morpholin-4-ylsulfonyl-N-(phenylmethyl)benzenesulfonamide,Canonical SMILES: CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3,InChI: InChI=1/C18H22N2O5S2/c1-19(15-16-5-3-2-4-6-16)26(21,,22)17
[Synonyms]
Oprea1_300051
Oprea1_467803
ZINC00922884

[Structure]
Oprea1_300051,Oprea1_467803,ZINC00922884, N-methyl-4-morpholin-4-ylsul

[ Properties Computed from Structure]
Molecular Weight410.50768 [g/mol]
Molecular FormulaC18H22N2O5S2
XLogP1.5
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count6
Exact Mass410.097013
MonoIsotopic Mass410.097013
Topological Polar Surface Area84
Heavy Atom Count27
Formal Charge0
Complexity664
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: N-methyl-4-morpholin-4-ylsulfonyl-N-(phenylmethyl)benzenesulfonamide
Canonical SMILES: CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1/C18H22N2O5S2/c1-19(15-16-5-3-2-4-6-16)26(21,
22)17-7-9-18(10-8-17)27(23,24)20-11-13-25-14-12-20/h2-10H,11-15H2,1H3

 
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