Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(N3CCC(NCC(O)c4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)cc1- InChIKey
LDOBEBWZCZOHMA-UHFFFAOYSA-N- Molecular formula
- C27H33N3O6S2
- Average molar mass
- 559.7 g/mol
- Monoisotopic mass
- 559.18107813
Names & identifiers
- Preferred name
- N-[2-Hydroxy-5-(1-hydroxy-2-{1-[4-(toluene-4-sulfonyl)-phenyl]-piperidin-4-ylamino}-ethyl)-phenyl]-methanesulfonamide
- IUPAC
- N-[2-hydroxy-5-[1-hydroxy-2-[[1-[4-(4-methylphenyl)sulfonylphenyl]piperidin-4-yl]amino]ethyl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL6806557LDOBEBWZCZOHMA-UHFFFAOYSA-NN-[2-Hydroxy-5-(1-hydroxy-2-{1-[4-(toluene-4-sulfonyl)-phenyl]-piperidin-4-ylamino}-ethyl)-phenyl]-methanesulfonamide
Database identifiers
- PubChem CID
- 10281140
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 942
Related reactions
2 records
Compound notes
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