Basic information
- CAS
1172362-35-4- Standard SMILES
CCOC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1Cl- InChIKey
VRBPPCAZFNJINP-UHFFFAOYSA-N- Molecular formula
- C24H29ClN2O5S
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.1485709
Names & identifiers
- Preferred name
- Ethyl 2-chloro-4-[[[1-[(3-phenylpropyl)sulfonyl]-3-piperidinyl]carbonyl]amino]benzoate
- IUPAC
- ethyl 2-chloro-4-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate
Names & synonyms
DTXSID801126524Ethyl 2-chloro-4-[[[1-[(3-phenylpropyl)sulfonyl]-3-piperidinyl]carbonyl]amino]benzoate1172362-35-4Ethyl 2-chloro-4-{[1-(3-phenylpropane-1-sulfonyl)piperidine-3-carbonyl]amino}benzoate
Database identifiers
- CAS
1172362-35-4- PubChem CID
- 43916396
- DTXSID
DTXSID801126524
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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