Methanesulfonamide, N-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-3-piperidinyl)carbonyl)phenyl)-,dihydrochloride

HCID 3087203

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Basic information

CAS: 113560-05-7
Standard SMILES: Cc1cccc(CCN2CCCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)C2)n1.Cl.Cl
InChIKey: SMXINPYXESFIED-UHFFFAOYSA-N
Molecular formula: C21H29Cl2N3O3S
Average molar mass: 474.4 g/mol
Monoisotopic mass: 473.1306684

Names & identifiers

Preferred name: Methanesulfonamide, N-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-3-piperidinyl)carbonyl)phenyl)-,dihydrochloride
IUPAC: N-[4-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-3-carbonyl]phenyl]methanesulfonamide;dihydrochloride

Names & synonyms

113560-05-7Methanesulfonamide, N-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-3-piperidinyl)carbonyl)phenyl)-,dihydrochlorideRefChem:3522331-(2-(6-Methyl-2-pyridyl)ethyl)-4-(4-methylsulfonylaminobenzoyl)piperidine dihydrochlorideDTXSID20921107N-(4-{1-[2-(6-Methylpyridin-2-yl)ethyl]piperidine-3-carbonyl}phenyl)methanesulfonamide--hydrogen chloride (1/2)

Database identifiers

CAS: 113560-05-7
PubChem CID: 3087203
DTXSID: DTXSID20921107

Properties

Computed structural properties

Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 611

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