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Oprea1_353786,Oprea1_555274,MLS001217527,BAS 02808272,SMR000611460,AH-

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摘 要:Oprea1_353786,Oprea1_555274,MLS001217527,BAS 02808272,SMR000611460,AH-487/15149452,N-[4-(4-Benzyl-piperazine-1-carbonyl)-phenyl]-N-methyl-benzenesulfonamide, N-methyl-N-[4-[4-(phenylmethyl)piperazine-1-carbonyl]phenyl],benzenesulfonamide,Canonical SM
[Synonyms]
Oprea1_353786
Oprea1_555274
MLS001217527
BAS 02808272
SMR000611460
AH-487/15149452
N-[4-(4-Benzyl-piperazine-1-carbonyl)-phenyl]-N-methyl-benzenesulfonamide

[Structure]
Oprea1_353786,Oprea1_555274,MLS001217527,BAS 02808272,SMR000611460,AH-

[ Properties Computed from Structure]
Molecular Weight449.56518 [g/mol]
Molecular FormulaC25H27N3O3S
XLogP4.2
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count6
Exact Mass449.177312
MonoIsotopic Mass449.177312
Topological Polar Surface Area60.9
Heavy Atom Count32
Formal Charge0
Complexity694
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-N-[4-[4-(phenylmethyl)piperazine-1-carbonyl]phenyl]
benzenesulfonamide
Canonical SMILES: CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1/C25H27N3O3S/c1-26(32(30,
31)24-10-6-3-7-11-24)23-14-12-22(13-15-23)25(29)28-18-16-27(17-19-28)20-
21-8-4-2-5-9-21/h2-15H,16-20H2,1H3

 
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