Basic information
- CAS
23378-04-3- Standard SMILES
N=C(N)c1ccc(OCCCCOc2ccc(NC(=O)Nc3cc(S(=O)(=O)F)ccc3Cl)cc2)cc1.O=S(=O)(O)c1ccccc1- InChIKey
NHEIYPTTXLIAFT-UHFFFAOYSA-N- Molecular formula
- C30H30ClFN4O8S2
- Average molar mass
- 693.2 g/mol
- Monoisotopic mass
- 692.1177621
Names & identifiers
- Preferred name
- Benzenesulfonic acid;3-[[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]carbamoylamino]-4-chlorobenzenesulfonyl fluoride
- IUPAC
- benzenesulfonic acid;3-[[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]carbamoylamino]-4-chlorobenzenesulfonyl fluoride
Names & synonyms
NSC21166623378-04-3DTXSID80309306NSC-211666Benzenesulfonic acid--3-[({4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl}carbamoyl)amino]-4-chlorobenzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
23378-04-3- PubChem CID
- 309397
- DTXSID
DTXSID80309306
Properties
Computed structural properties
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 997
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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