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Basic information
- Standard SMILES
NC(=O)c1ccc(S(=O)(=O)N2CCc3ccc(OCCCN4CCCCC4)cc3C2)cc1- InChIKey
TXBITFMQYZPXIE-UHFFFAOYSA-N- Molecular formula
- C24H31N3O4S
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.20352765
Names & identifiers
- Preferred name
- 4-[7-(3-Piperidin-1-yl-propoxy)-3,4-dihydro-1H-isoquinoline-2-sulfonyl]-benzamide
- IUPAC
- 4-[[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzamide
Names & synonyms
SCHEMBL5093971TXBITFMQYZPXIE-UHFFFAOYSA-N4-[7-(3-Piperidin-1-yl-propoxy)-3,4-dihydro-1H-isoquinoline-2-sulfonyl]-benzamide
Database identifiers
- PubChem CID
- 59640436
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 711
Related reactions
1 records
Compound notes
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