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CBMicro_011454,ChemDiv1_022324,ZINC00879733,BAS 00253812,BIM-0011323.P

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摘 要:CBMicro_011454,ChemDiv1_022324,ZINC00879733,BAS 00253812,BIM-0011323.P001,EU-0006042,AG-690/34470063,N-(3-Acetyl-1-benzenesulfonyl-2-methyl-1H-indol-5-yl)-benzenesulfonamide, N-(3-acetyl-2-methyl-1-phenylsulfonylindol-5-yl)benzenesulfonamide,Canonica
[Synonyms]
CBMicro_011454
ChemDiv1_022324
ZINC00879733
BAS 00253812
BIM-0011323.P001
EU-0006042
AG-690/34470063
N-(3-Acetyl-1-benzenesulfonyl-2-methyl-1H-indol-5-yl)-benzenesulfonamide

[Structure]
CBMicro_011454,ChemDiv1_022324,ZINC00879733,BAS 00253812,BIM-0011323.P

[ Properties Computed from Structure]
Molecular Weight468.5453 [g/mol]
Molecular FormulaC23H20N2O5S2
XLogP4.2
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count6
Tautomer Count2
Exact Mass468.081363
MonoIsotopic Mass468.081363
Topological Polar Surface Area102
Heavy Atom Count32
Formal Charge0
Complexity880
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-(3-acetyl-2-methyl-1-phenylsulfonylindol-5-yl)benzenesulfonamide
Canonical SMILES: CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)NS(=O)(=O)C4=CC=CC=C4)C(=O)C
InChI: InChI=1/C23H20N2O5S2/c1-16-23(17(2)26)21-15-18(24-31(27,
28)19-9-5-3-6-10-19)13-14-22(21)25(16)32(29,30)20-11-7-4-8-12-20/h3-15,
24H,1-2H3

 
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