1-Heptanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate

HCID 51402

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Basic information

CAS: 71798-52-2
Standard SMILES: CCCCCCCS(=O)(=O)Nc1ccc([NH2+]c2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)[O-]
InChIKey: UZQZSIWHDBCSIY-UHFFFAOYSA-N
Molecular formula: C28H35N3O6S2
Average molar mass: 573.7 g/mol
Monoisotopic mass: 573.19672819

Names & identifiers

Preferred name: 1-Heptanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate
IUPAC: acridin-9-yl-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium;methanesulfonate

Names & synonyms

4'-(9-Acridinylamino)-3'-methoxy-1-heptanesulfonanilide methanesulfonate71798-52-21-HEPTANESULFONANILIDE, 4'-(9-ACRIDINYLAMINO)-3'-METHOXY-, METHANESULFONATERefChem:230636

Database identifiers

CAS: 71798-52-2
PubChem CID: 51402

Properties

Computed structural properties

Topological polar surface area: 159 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 39
Formal charge: 0
Complexity: 770

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