Basic information
- CAS
113045-24-2- Standard SMILES
CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1.Cl- InChIKey
PGGCKJQZYSSGNI-UHFFFAOYSA-N- Molecular formula
- C29H35ClN2O3S
- Average molar mass
- 527.1 g/mol
- Monoisotopic mass
- 526.2056919
Overview
RN and structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
- IUPAC
- N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-benzylsulfonyl-N-methylbenzamide;hydrochloride
- English name
- 1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
- Molecular weight
- 0
Names & synonyms
113045-24-21-Benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidineDTXSID00150271BBSBMEPRefChem:74993DTXCID6072762N-Methyl-N-(4'-(1'-benzylpiperidine)ethyl)-4-benzylsulfonylbenzamide hydrochlorideCHEMBL542744N-[2-(1-Benzyl-4-piperidinyl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide hydrochlorideBenzamide, N-methyl-N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-4-((phenylmethyl)sulfonyl)-, monohydrochlorideN-[2-(1-Benzylpiperidin-4-yl)ethyl]-N-methyl-4-(phenylmethanesulfonyl)benzamide--hydrogen chloride (1/1)
Database identifiers
- CAS
113045-24-2- PubChem CID
- 197239
- DTXSID
DTXSID00150271- ChEMBL
CHEMBL542744
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 736
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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