Basic information
- Standard SMILES
CS(=O)(=O)N(C/C=C/c1cccc(C(=N)N)c1)c1ccc(OC2CCNCC2)c(C(N)=O)c1- InChIKey
LUOOTQNRSQNPDR-HWKANZROSA-N- Molecular formula
- C23H29N5O4S
- Average molar mass
- 471.6 g/mol
- Monoisotopic mass
- 471.1940256
Names & identifiers
- Preferred name
- N-[3-(3-amidinophenyl)-2-(E)-propenyl]-N-[3-carbamoyl-4-(piperidin-4-yloxy)phenyl]methanesulfonamide
- IUPAC
- 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonylamino]-2-piperidin-4-yloxybenzamide
Names & synonyms
SCHEMBL5865298LUOOTQNRSQNPDR-HWKANZROSA-NN-[3-(3-amidinophenyl)-2-(E)-propenyl]-N-[3-carbamoyl-4-(piperidin-4-yloxy)phenyl]methanesulfonamide
Database identifiers
- PubChem CID
- 22180972
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 806
Related reactions
1 records
Compound notes
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