Basic information
- Standard SMILES
CCCCS(=O)(=O)Nc1ccc(N2CCC(NCC(O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1- InChIKey
LQMBYBKJTUUMMY-UHFFFAOYSA-N- Molecular formula
- C24H36N4O6S2
- Average molar mass
- 540.7 g/mol
Names & identifiers
- Preferred name
- N-(4-{4-[(2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidineyl}phenyl)-1-butanesulfonamide
- IUPAC
- N-[4-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]phenyl]butane-1-sulfonamide
Names & synonyms
SCHEMBL6074529LQMBYBKJTUUMMY-UHFFFAOYSA-NN-(4-{4-[(2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidineyl}phenyl)-1-butanesulfonamideN-(4-{4-[(2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}phenyl)-1-butanesulfonamide
Database identifiers
- PubChem CID
- 22220271
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 860
Related reactions
2 records
Compound notes
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