urea, 1-(1-adamantyl)-3-((p-(2-(7-bromo-3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium salt

HCID 64301

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Basic information

CAS: 34723-70-1
Standard SMILES: CC1(C)C(=O)N(CCc2ccc(S(=O)(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C(=O)c2cc(Br)ccc21.[Na+]
InChIKey: OMPDVPOHUHSOLX-UHFFFAOYSA-N
Molecular formula: C30H34BrN3NaO5S+
Average molar mass: 651.6 g/mol
Monoisotopic mass: 650.13002

Names & identifiers

Preferred name: urea, 1-(1-adamantyl)-3-((p-(2-(7-bromo-3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium salt
IUPAC: sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea

Names & synonyms

34723-70-1Urea, 1-(1-adamantyl)-3-((p-(2-(7-bromo-3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium saltDTXSID90188280RefChem:387239DTXCID20110771

Database identifiers

CAS: 34723-70-1
PubChem CID: 64301
DTXSID: DTXSID90188280

Properties

Computed structural properties

Topological polar surface area: 121 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 41
Formal charge: 1
Complexity: 1,100

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