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88073-48-7 | Piperidine, 1-[3,3-bis(phenylsulfonyl)propyl]-
CAS No: 88073-48-7 Catalog No: AG004KJX MDL No:
Product Description
Catalog Number:
AG004KJX
Chemical Name:
Piperidine, 1-[3,3-bis(phenylsulfonyl)propyl]-
CAS Number:
88073-48-7
Molecular Formula:
C20H25NO4S2
Molecular Weight:
407.5468
IUPAC Name:
1-[3,3-bis(benzenesulfonyl)propyl]piperidine
InChI:
InChI=1S/C20H25NO4S2/c22-26(23,18-10-4-1-5-11-18)20(14-17-21-15-8-3-9-16-21)27(24,25)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChI Key:
AUPYWXGYYXQVTN-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(S(=O)(=O)c1ccccc1)CCN1CCCCC1)c1ccccc1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.543g/mol
Monoisotopic Mass:
407.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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