Basic information
- Standard SMILES
CS(=O)(=O)N(C/C=C/c1cccc(C(=N)N)c1)c1ccc(OC2CCN(C3=NCCC3)CC2)c(C(N)=O)c1.Cl.Cl- InChIKey
TZZSFIFYGRZSHH-SLNOCBGISA-N- Molecular formula
- C27H36Cl2N6O4S
- Average molar mass
- 611.6 g/mol
Names & identifiers
- Preferred name
- N-[3-(3-amidinophenyl)-2-(E)-propenyl]-N-[3-carbamoyl-4-[1-(4,5-dihydro-3H-pyrrol-2-yl)piperidin-4-yloxy]phenyl]methanesulfonamide dihydrochloride
- IUPAC
- 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonylamino]-2-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxybenzamide;dihydrochloride
Names & synonyms
SCHEMBL5864769TZZSFIFYGRZSHH-SLNOCBGISA-NN-[3-(3-amidinophenyl)-2-(E)-propenyl]-N-[3-carbamoyl-4-[1-(4,5-dihydro-3H-pyrrol-2-yl)piperidin-4-yloxy]phenyl]methanesulfonamide dihydrochloride
Database identifiers
- PubChem CID
- 22180975
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
4 records
Compound notes
Loading…