Ethyl 1-methyl-5-[(4-methylbenzene-1-sulfonyl)oxy]-2-[(morpholin-4-yl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Basic information
- CAS
88461-82-9- Standard SMILES
CCOC(=O)c1c(CN2CCOCC2)n(C)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12.Cl- InChIKey
CRQSDZTWINWANB-UHFFFAOYSA-N- Molecular formula
- C24H29ClN2O6S
- Average molar mass
- 509 g/mol
- Monoisotopic mass
- 508.1434855
Overview
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Names & identifiers
- Preferred name
- Ethyl 1-methyl-5-[(4-methylbenzene-1-sulfonyl)oxy]-2-[(morpholin-4-yl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
- IUPAC
- ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ylmethyl)indole-3-carboxylate;hydrochloride
Names & synonyms
NSC717512Ethyl 1-methyl-5-[(4-methylbenzene-1-sulfonyl)oxy]-2-[(morpholin-4-yl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)DTXSID101008161AKOS024395685NSC-717512
Database identifiers
- CAS
88461-82-9- PubChem CID
- 403040
- DTXSID
DTXSID101008161
Properties
Computed structural properties
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 757
Related reactions
0 records
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Compound notes
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