Basic information
- Standard SMILES
COc1ccc(CC(CN2CCN(C(=O)OCc3ccccc3)CC2)N(CCOC(C)=O)S(=O)(=O)c2cccc3cnccc23)cc1- InChIKey
AMZIYUWTIHEDOT-UHFFFAOYSA-N- Molecular formula
- C35H40N4O7S
- Average molar mass
- 660.8 g/mol
- Monoisotopic mass
- 660.2617708
Names & identifiers
- Preferred name
- N-(2-Acetoxyethyl)-N-[2-(4-benzyloxycarbonylpiperazinyl)-1-(p-methoxybenzyl)ethyl]-5-isoquinolinesulfonamide
- IUPAC
- benzyl 4-[2-[2-acetyloxyethyl(isoquinolin-5-ylsulfonyl)amino]-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL9483922AMZIYUWTIHEDOT-UHFFFAOYSA-NN-(2-Acetoxyethyl)-N-[2-(4-benzyloxycarbonylpiperazinyl)-1-(p-methoxybenzyl)ethyl]-5-isoquinolinesulfonamide
Database identifiers
- PubChem CID
- 19796392
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
3 records
Compound notes
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