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877994-49-5 | METHANESULFONAMIDE, N-[(1R,2S)-2-[[(R)-[[(1R)-1-[1-(4-CHLOROPHENYL)CYCLOBUTYL]-3-METHYLBUTYL]AMINO]SULFINYL]OXY]-2,3-DIHYDRO-1H-INDEN-1-YL]-
CAS No: 877994-49-5 Catalog No: AG004F89 MDL No:
Product Description
Catalog Number:
AG004F89
Chemical Name:
METHANESULFONAMIDE, N-[(1R,2S)-2-[[(R)-[[(1R)-1-[1-(4-CHLOROPHENYL)CYCLOBUTYL]-3-METHYLBUTYL]AMINO]SULFINYL]OXY]-2,3-DIHYDRO-1H-INDEN-1-YL]-
CAS Number:
877994-49-5
Molecular Formula:
C25H33ClN2O4S2
Molecular Weight:
525.1235
IUPAC Name:
N-[(1R,2S)-2-[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]sulfinamoyloxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
InChI:
InChI=1S/C25H33ClN2O4S2/c1-17(2)15-23(25(13-6-14-25)19-9-11-20(26)12-10-19)27-33(29)32-22-16-18-7-4-5-8-21(18)24(22)28-34(3,30)31/h4-5,7-12,17,22-24,27-28H,6,13-16H2,1-3H3/t22-,23+,24+,33+/m0/s1
InChI Key:
KWLKVVWARKCOPA-XWMGVVOCSA-N
SMILES:
Clc1ccc(cc1)C1(CCC1)[C@H](N[S@](=O)O[C@H]1Cc2c([C@H]1NS(=O)(=O)C)cccc2)CC(C)C
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
524.157g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
525.119g/mol
Monoisotopic Mass:
524.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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