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121758-19-8 | Benzenesulfonamide, N,N'-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl]bis[4-methyl-
CAS No: 121758-19-8 Catalog No: AG0015TZ MDL No:
Product Description
Catalog Number:
AG0015TZ
Chemical Name:
Benzenesulfonamide, N,N'-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl]bis[4-methyl-
CAS Number:
121758-19-8
Molecular Formula:
C28H28N2O4S2
Molecular Weight:
520.6629
IUPAC Name:
4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]benzenesulfonamide
InChI:
InChI=1S/C28H28N2O4S2/c1-21-13-17-25(18-14-21)35(31,32)29-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)30-36(33,34)26-19-15-22(2)16-20-26/h3-20,27-30H,1-2H3/t27-,28-/m1/s1
InChI Key:
SJEDVDWSFHJKIZ-VSGBNLITSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N[C@@H]([C@@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
520.149g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
520.662g/mol
Monoisotopic Mass:
520.149g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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