Basic information
- CAS
70889-28-0- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n(C)c1C- InChIKey
XLNKAJRAOOBMBT-UHFFFAOYSA-N- Molecular formula
- C24H27N3O6S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.16205676
Names & identifiers
- Preferred name
- [5-[4-(benzenesulfonyl)phenyl]-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [5-[4-(benzenesulfonyl)phenyl]-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
- English name
- 1H-Pyrrole-3,4-dimethanol, 1, 2-dimethyl-5-[4- (phenylsulfonyl)phenyl] -, bis(methylcarbamate) (ester)
- Molecular formula
- C24H27N3O6S
- Molecular weight
- 485.55
Names & synonyms
70889-28-0NSC301485[5-[4-(benzenesulfonyl)phenyl]-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL3248033DTXSID60316270NSC-3014851H-Pyrrole-3, 1,2-dimethyl-5-[4-(phenylsulfonyl)phenyl]-, bis(methylcarbamate) (ester){2-[4-(Benzenesulfonyl)phenyl]-1,5-dimethyl-1H-pyrrole-3,4-diyl}bis(methylene) bis(methylcarbamate)1H-Pyrrole-3,4-dimethanol, 1, 2-dimethyl-5-[4- (phenylsulfonyl)phenyl] -, bis(methylcarbamate) (ester)1H-Pyrrole-3,4-dimethanol, 1,2-dimethyl-5-[4-(phenylsulfonyl)phenyl]-, bis(methylcarbamate) (ester) (9CI)
Database identifiers
- CAS
70889-28-0- PubChem CID
- 327244
- DTXSID
DTXSID60316270- ChEMBL
CHEMBL3248033
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 787
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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