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Oprea1_704830,MLS000123280,ZINC00934237,ASN 04479618,SMR000123916,N-(4

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摘 要:Oprea1_704830,MLS000123280,ZINC00934237,ASN 04479618,SMR000123916,N-(4-Ethoxy-benzyl)-N-furan-2-ylmethyl-3-methoxy-4-tetrazol-1-yl-benzenesulfonamide, N-[(4-ethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-4-(tetrazol-1-,yl)benzenesulfonamide,Cano
[Synonyms]
Oprea1_704830
MLS000123280
ZINC00934237
ASN 04479618
SMR000123916
N-(4-Ethoxy-benzyl)-N-furan-2-ylmethyl-3-methoxy-4-tetrazol-1-yl-benzenesulfonamide

[Structure]
Oprea1_704830,MLS000123280,ZINC00934237,ASN 04479618,SMR000123916,N-(4

[ Properties Computed from Structure]
Molecular Weight469.51352 [g/mol]
Molecular FormulaC22H23N5O5S
XLogP2
H-Bond Donor0
H-Bond Acceptor10
Rotatable Bond Count10
Exact Mass469.14199
MonoIsotopic Mass469.14199
Topological Polar Surface Area113
Heavy Atom Count33
Formal Charge0
Complexity700
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-[(4-ethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-3-methoxy-4-(tetrazol-1-
yl)benzenesulfonamide
Canonical SMILES: CCOC1=CC=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)N4C=NN=N4)OC
InChI: InChI=1/C22H23N5O5S/c1-3-31-18-8-6-17(7-9-18)14-26(15-19-5-4-12-32-19)33
(28,29)20-10-11-21(22(13-20)30-2)27-16-23-24-25-27/h4-13,16H,3,14-15H2,
1-2H3

 
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