1-Octanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate
Basic information
- CAS
71798-54-4- Standard SMILES
CCCCCCCCS(=O)(=O)Nc1ccc([NH2+]c2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)[O-]- InChIKey
WYMCYXSWPGTQQP-UHFFFAOYSA-N- Molecular formula
- C29H37N3O6S2
- Average molar mass
- 587.8 g/mol
- Monoisotopic mass
- 587.21237826
Names & identifiers
- Preferred name
- 1-Octanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate
- IUPAC
- acridin-9-yl-[2-methoxy-4-(octylsulfonylamino)phenyl]azanium;methanesulfonate
Names & synonyms
4'-(9-Acridinylamino)-3'-methoxy-1-octanesulfonanilide methanesulfonate71798-54-41-OCTANESULFONANILIDE, 4'-(9-ACRIDINYLAMINO)-3'-METHOXY-, METHANESULFONATERefChem:232543
Database identifiers
- CAS
71798-54-4- PubChem CID
- 51404
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 785
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Compound notes
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