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205641-99-2 | Piperidine, 1-[(4-methylphenyl)sulfonyl]-4-(phenylmethyl)-
CAS No: 205641-99-2 Catalog No: AG002A8D MDL No:
Product Description
Catalog Number:
AG002A8D
Chemical Name:
Piperidine, 1-[(4-methylphenyl)sulfonyl]-4-(phenylmethyl)-
CAS Number:
205641-99-2
Molecular Formula:
C19H23NO2S
Molecular Weight:
329.4564
IUPAC Name:
4-benzyl-1-(4-methylphenyl)sulfonylpiperidine
InChI:
InChI=1S/C19H23NO2S/c1-16-7-9-19(10-8-16)23(21,22)20-13-11-18(12-14-20)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChI Key:
UMUAEIKEGIYZRB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.145g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.458g/mol
Monoisotopic Mass:
329.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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