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182822-62-4 | Methanesulfonamide, N-[4-methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-, rel-
CAS No: 182822-62-4 Catalog No: AG00245O MDL No:
Product Description
Catalog Number:
AG00245O
Chemical Name:
Methanesulfonamide, N-[4-methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-, rel-
CAS Number:
182822-62-4
Molecular Formula:
C21H29N3O3S
Molecular Weight:
403.5383
IUPAC Name:
N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide
InChI:
InChI=1S/C21H29N3O3S/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1
InChI Key:
GZLOIBNBDUHEFY-FPOVZHCZSA-N
SMILES:
COc1ccc(cc1CN[C@@H]1CCCN[C@@H]1c1ccccc1)N(S(=O)(=O)C)C
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
403.193g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.541g/mol
Monoisotopic Mass:
403.193g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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