[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium

Systemtic Name: [3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium Openeye Name: [2-hydroxy-3-[4-methyl-N-(p-tolylsulfonyl)anilino]propyl]-diisobutyl-ammonium CAS Name: [2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)azanium Traditional Name: [2-hydroxy-3-(4-methyl-N-tosyl-anilino)propyl]-diisobutyl-ammonium Formula: C25H39N2O3S+ MolecularWeight: 447.65376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+](CC(C)C)CC(C)C)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(C[NH+](CC(C)C)CC(C)C)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H38N2O3S/c1-19(2)15-26(16-20(3)4)17-24(28)18-27(23-11-7-21(5)8-12-23)31(29,30)25-13-9-22(6)10-14-25/h7-14,19-20,24,28H,15-18H2,1-6H3/p+1