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24476-55-9 | 4-Piperidinecarbonitrile, 1-[(4-methylphenyl)sulfonyl]-4-phenyl-
CAS No: 24476-55-9 Catalog No: AG002OA6 MDL No:MFCD00388677
Product Description
Catalog Number:
AG002OA6
Chemical Name:
4-Piperidinecarbonitrile, 1-[(4-methylphenyl)sulfonyl]-4-phenyl-
CAS Number:
24476-55-9
Molecular Formula:
C19H20N2O2S
Molecular Weight:
340.4393
MDL Number:
MFCD00388677
IUPAC Name:
1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile
InChI:
InChI=1S/C19H20N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-13-11-19(15-20,12-14-21)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChI Key:
RQTVIKMRXYJTDX-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)S(=O)(=O)c1ccc(cc1)C)c1ccccc1
EC Number:
246-283-6
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.441g/mol
Monoisotopic Mass:
340.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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