Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate

HCID 40682

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Basic information

CAS: 53222-04-1
Standard SMILES: CCCCCS(=O)(=O)Nc1ccc([NH2+]c2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1.CS(=O)(=O)[O-]
InChIKey: AZBGYYQKZPJVFP-UHFFFAOYSA-N
Molecular formula: C27H32N4O6S2
Average molar mass: 572.7 g/mol
Monoisotopic mass: 572.1763271

Names & identifiers

Preferred name: Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate
IUPAC: (3-acetamidoacridin-9-yl)-[4-(pentylsulfonylamino)phenyl]azanium;methanesulfonate

Names & synonyms

53222-04-1Acetamide, N-(9-((4-((pentylsulfonyl)amino)phenyl)amino)-3-acridinyl)-, methanesulfonateACETAMIDE, N-(9-(4-(PENTYLSULFONAMIDO)ANILINO)ACRIDIN-3-YL)-, METHANESULFONATEN-(9-(4-(Pentylsulfonamido)anilino)acridin-3-yl)acetamide methanesulfonateRefChem:315478

Database identifiers

CAS: 53222-04-1
PubChem CID: 40682

Properties

Computed structural properties

Topological polar surface area: 179 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 39
Formal charge: 0
Complexity: 842

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