Chlororuthenium(1+);[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide

Catalog Number	ACM1333981842-1
CAS	1333981-84-2
Structure
Synonyms	N-[(1R,2R)-1,2-Diphenyl-2-(2-(4-methylbenzyloxy)ethylamino)-ethyl]-4-methylbenzene sulfonamide(chloro)ruthenium(II)
Molecular Weight	650.2
Molecular Formula	C31H33ClN2O3RuS
Canonical SMILES	CC1=CC=C(C=C1)COCCNC(C2=CC=CC=C2)C(C3=CC=CC=C3)[N-]S(=O)(=O)C4=CC=C(C=C4)C.Cl[Ru+]
InChI	InChI=1S/C31H33N2O3S.ClH.Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;;/h3-20,30-32H,21-23H2,1-2H3;1H;/q-1;+2/p-1/t30-,31-;/m1/s1
InChI Key	INKUCOHLIHBSDN-ZAMYOOMVSA-M
Purity	98%
Appearance	Solid
Exact Mass	650.094382
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC1=CC=C(C=C1)COCCN[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)[N-]S(=O)(=O)C4=CC=C(C=C4)C.Cl[Ru+]
Monoisotopic Mass	650.094382
Rotatable Bond Count	12
Topological Polar Surface Area	64.8 Ų