1-Butanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride

HCID 51407

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Basic information

CAS: 71802-79-4
Standard SMILES: CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc(NC(C)=O)ccc23)c(OC)c1.[Cl-].[Cl-]
InChIKey: HXQHJWDJYUJRJK-UHFFFAOYSA-M
Molecular formula: C26H29Cl2N4O4S-
Average molar mass: 564.5 g/mol
Monoisotopic mass: 563.128657

Names & identifiers

Preferred name: 1-Butanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride
IUPAC: N-[9-[4-(butylsulfonylamino)-2-methoxyanilino]acridin-10-ium-3-yl]acetamide dichloride

Names & synonyms

1-Butanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride71802-79-4RefChem:10550924'-(3-Acetamido-9-acridinylamino)-3'-methoxy-1-butanesulfonanilide hydrochlorideAcetamide, N-(9-(4-(butylsulfonamido)-2-methoxyanilino)-3-acridinyl)-, monohydrochloride

Database identifiers

CAS: 71802-79-4
PubChem CID: 51407

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: -1
Complexity: 804

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