N-(2-azanyl-1,2-diphenyl-ethyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide; ruthenium(2+); 1,2,4,5-tetramethylbenzene

Systemtic Name: N-(2-azanyl-1,2-diphenyl-ethyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide; ruthenium(2+); 1,2,4,5-tetramethylbenzene Openeye Name: N-(2-amino-1,2-diphenyl-ethyl)-2,4,6-triisopropyl-benzenesulfonamide; ruthenium(2+); 1,2,4,5-tetramethylbenzene CAS Name: N-(2-amino-1,2-diphenylethyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide; ruthenium(2+); 1,2,4,5-tetramethylbenzene IUPAC Name: N-(2-amino-1,2-diphenylethyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide; ruthenium(2+); 1,2,4,5-tetramethylbenzene Traditional Name: N-(2-amino-1,2-diphenyl-ethyl)-2,4,6-triisopropyl-benzenesulfonamide; durene; ruthenium(2+) Formula: C39H52N2O2RuS+2 MolecularWeight: 713.97738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N)C(C)C.[Ru+2]

Isomeric SMILES

CC1=CC(=C(C=C1C)C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N)C(C)C.[Ru+2]

InChI

InChI=1S/C29H38N2O2S.C10H14.Ru/c1-19(2)24-17-25(20(3)4)29(26(18-24)21(5)6)34(32,33)31-28(23-15-11-8-12-16-23)27(30)22-13-9-7-10-14-22;1-7-5-9(3)10(4)6-8(7)2;/h7-21,27-28,31H,30H2,1-6H3;5-6H,1-4H3;/q;;+2