Synonyms
(1S,2S)-N,N'-Ditosyl-1,2-diphenylethylenediamine; MFCD00269674; BC686819; 170709-41-8; SCHEMBL2067591;
IUPAC Name
4-methyl-N-[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]benzenesulfonamide;
Molecular Weight
520.662g/mol
Molecular Formula
C28H28N2O4S2;
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C;
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-/m0/s1;
InChI Key
SJEDVDWSFHJKIZ-NSOVKSMOSA-N;
Complexity
794
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
520.149g/mol
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
36
Monoisotopic Mass
520.149g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
109A^2
