(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate
Basic information
- CAS
235098-23-4- Standard SMILES
Cc1ccc(S(=O)(=O)ON2C(=O)c3c(N)c(C#N)c(-c4ccccc4)c(-c4ccccc4)c3C2=O)cc1- InChIKey
SIMLLKKCRICXKI-UHFFFAOYSA-N- Molecular formula
- C28H19N3O5S
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 509.10454189
Names & identifiers
- Preferred name
- (4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate
- IUPAC
- (4-amino-5-cyano-1,3-dioxo-6,7-diphenylisoindol-2-yl) 4-methylbenzenesulfonate
Names & synonyms
NSC697040CHEMBL1968710DTXSID701111506NSC-697040(4-amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate235098-23-4NCI60_0345594-Amino-2-(((4-methylphenyl)sulfonyl)oxy)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile4-Amino-2,3-dihydro-2-[[(4-methylphenyl)sulfonyl]oxy]-1,3-dioxo-6,7-diphenyl-1H-isoindole-5-carbonitrile4-Amino-2-[(4-methylbenzene-1-sulfonyl)oxy]-1,3-dioxo-6,7-diphenyl-2,3-dihydro-1H-isoindole-5-carbonitrile
Database identifiers
- CAS
235098-23-4- PubChem CID
- 393968
- DTXSID
DTXSID701111506- ChEMBL
CHEMBL1968710
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,010
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…