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Acetamide, N-(9-(p-(propylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate

HCID 40678
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Basic information

CAS
53222-00-7
Standard SMILES
CCCS(=O)(=O)Nc1ccc([NH2+]c2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1.CS(=O)(=O)[O-]
InChIKey
SQALANLEKYHRDX-UHFFFAOYSA-N
Molecular formula
C25H28N4O6S2
Average molar mass
544.6 g/mol
Monoisotopic mass
544.14502697

Names & identifiers

Preferred name
Acetamide, N-(9-(p-(propylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate
IUPAC
(3-acetamidoacridin-9-yl)-[4-(propylsulfonylamino)phenyl]azanium;methanesulfonate

Names & synonyms

53222-00-7Acetamide, N-(9-((4-((propylsulfonyl)amino)phenyl)amino)-3-acridinyl)-, methanesulfonateACETAMIDE, N-(9-(p-(PROPYLSULFONAMIDO)ANILINO)ACRIDIN-3-YL)-, METHANESULFONATEN-(9-(p-(Propylsulfonamido)anilino)acridin-3-yl)acetamide methanesulfonateRefChem:315481

Database identifiers

CAS
53222-00-7
PubChem CID
40678

Properties

Computed structural properties

Topological polar surface area
179 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Formal charge
0
Complexity
811

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