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CBMicro_042403,IVK/8068509,BIM-0042308.P001,AK-968/12115057, 2-(phenox

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摘 要:CBMicro_042403,IVK/8068509,BIM-0042308.P001,AK-968/12115057, 2-(phenoxy)-N-(4-sulfamoylphenyl)butanamide,Canonical SMILES: CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC2=CC=CC=C2,InChI: InChI=1/C16H18N2O4S/c1-2-15(22-13-6-4-3-5-7-13)16(19)18-12-8-10-14(11-9-,
[Synonyms]
CBMicro_042403
IVK/8068509
BIM-0042308.P001
AK-968/12115057

[Structure]
CBMicro_042403,IVK/8068509,BIM-0042308.P001,AK-968/12115057, 2-(phenox

[ Properties Computed from Structure]
Molecular Weight334.39012 [g/mol]
Molecular FormulaC16H18N2O4S
XLogP2
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass334.098728
MonoIsotopic Mass334.098728
Topological Polar Surface Area98.5
Heavy Atom Count23
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(phenoxy)-N-(4-sulfamoylphenyl)butanamide
Canonical SMILES: CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC2=CC=CC=C2
InChI: InChI=1/C16H18N2O4S/c1-2-15(22-13-6-4-3-5-7-13)16(19)18-12-8-10-14(11-9-
12)23(17,20)21/h3-11,15H,2H2,1H3,(H,18,19)(H2,17,20,21)/f/h18H,17H2

 
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