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Basic information
- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccc(CNC2CCCc3cccnc32)cc1)Cc1ccccn1- InChIKey
TUXQIJANGYNQMB-UHFFFAOYSA-N- Molecular formula
- C29H29N5O4S
- Average molar mass
- 543.6 g/mol
Names & identifiers
- Preferred name
- N-(2-nitrobenzenesulfonyl)-N-(2-pyridinylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
- IUPAC
- 2-nitro-N-(pyridin-2-ylmethyl)-N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]benzenesulfonamide
Names & synonyms
N-(2-nitrobenzenesulfonyl)-N-(2-pyridinylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanaminen-(2-nitrobenzenesulfonyl)-n-(2-pyridinylmethyl)-n'-[5,6,7,8-tetrahydro-8-quinolinyl]-1,4-benzenedimethanamineSCHEMBL3312846TUXQIJANGYNQMB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22018658
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 885
Related reactions
11 records
Compound notes
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