AC1NWTIJ structure

AC1NWTIJ

(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-piperidin-1-ylsulfonylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione

Also Known As: (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-piperidin-1-ylsulfonylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione|(4E)-5-(3,4-dimethoxyphenyl)-4-{hydroxy[4-(piperidin-1-ylsulfonyl)phenyl]methylidene}-1-(2-methoxyethyl)pyrrolidine-2,3-dione|5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-(piperidin-1-ylsulfonyl)benzoyl)-1H-pyrrol-2(5H)-one|5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[4-(1-piperidinylsulfonyl)benzoyl]-1,5-dihydro-2H-pyrrol-2-one

CAS: 849010-91-9
Molecular Formula C27H32N2O8S
Molecular Weight 544.1879 g/mol
LogP 2.9465
Topological Polar Surface Area 122.68 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 9
Exact Mass 544.1879
Monoisotopic Mass 544.1879
Heavy Atoms 38
Complexity 1331.3463

Chemical Identifiers

CAS Number 849010-91-9
SMILES COCCN1C(/C(=C(/C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)\O)/C(=O)C1=O)C4=CC(=C(C=C4)OC)OC

Product Overview

AC1NWTIJ (CAS 849010-91-9), with molecular formula C27H32N2O8S and molecular weight 544.1879 g/mol. IUPAC: (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-piperidin-1-ylsulfonylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione.

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