Home Sulfos Benzenesulfonamide, N-[(1R,2R)-2-[[3-(1,4-cyclohexadien-1-yl)propyl]amino]-1,2-diphenylethyl]-4-methyl-

Benzenesulfonamide, N-[(1R,2R)-2-[[3-(1,4-cyclohexadien-1-yl)propyl]amino]-1,2-diphenylethyl]-4-methyl-

CAS No.:
851051-41-7
Catalog Number:
AG00G3SB
Molecular Formula:
C30H34N2O2S
Molecular Weight:
486.6682
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Product Description
Catalog Number:
AG00G3SB
Chemical Name:
Benzenesulfonamide, N-[(1R,2R)-2-[[3-(1,4-cyclohexadien-1-yl)propyl]amino]-1,2-diphenylethyl]-4-methyl-
CAS Number:
851051-41-7
Molecular Formula:
C30H34N2O2S
Molecular Weight:
486.6682
MDL Number:
MFCD30491831
IUPAC Name:
N-[(1R,2R)-2-(3-cyclohexa-1,4-dien-1-ylpropylamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C30H34N2O2S/c1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25/h2-5,7-10,13,15-22,29-32H,6,11-12,14,23H2,1H3/t29-,30-/m1/s1
InChI Key:
UCNVBFVQVVXMIT-LOYHVIPDSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N[C@@H]([C@@H](c1ccccc1)NCCCC1=CCC=CC1)c1ccccc1
Properties
Complexity:
780  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
486.234g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
486.674g/mol
Monoisotopic Mass:
486.234g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Properties