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Oprea1_528570,Oprea1_580999,MLS001210915,STK046005,ZINC00917333,BAS 03

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摘 要:Oprea1_528570,Oprea1_580999,MLS001210915,STK046005,ZINC00917333,BAS 03587030,SMR000518740,3,4-Dimethyl-N-[4-(morpholine-4-sulfonyl)-phenyl]-benzamide, 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide,Canonical SMILES: CC1=C(C=C(C=C1)C(=O)NC2=
[Synonyms]
Oprea1_528570
Oprea1_580999
MLS001210915
STK046005
ZINC00917333
BAS 03587030
SMR000518740
3,4-Dimethyl-N-[4-(morpholine-4-sulfonyl)-phenyl]-benzamide

[Structure]
Oprea1_528570,Oprea1_580999,MLS001210915,STK046005,ZINC00917333,BAS 03

[ Properties Computed from Structure]
Molecular Weight374.45398 [g/mol]
Molecular FormulaC19H22N2O4S
XLogP2.6
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count2
Exact Mass374.130028
MonoIsotopic Mass374.130028
Topological Polar Surface Area75.7
Heavy Atom Count26
Formal Charge0
Complexity575
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: 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
Canonical SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C
InChI: InChI=1/C19H22N2O4S/c1-14-3-4-16(13-15(14)2)19(22)20-17-5-7-18(8-6-17)26
(23,24)21-9-11-25-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)/f/h20H

 
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