2-[2,6-bis(methylsulfinyl)phenyl]-N'-methyl-propane-1,3-diamine

Systemtic Name: 2-[2,6-bis(methylsulfinyl)phenyl]-N'-methyl-propane-1,3-diamine Openeye Name: 2-[2,6-bis(methylsulfinyl)phenyl]-N'-methyl-propane-1,3-diamine CAS Name: 2-[2,6-bis(methylsulfinyl)phenyl]-N'-methylpropane-1,3-diamine IUPAC Name: 2-[2,6-bis(methylsulfinyl)phenyl]-N'-methylpropane-1,3-diamine Traditional Name: [3-amino-2-[2,6-bis(methylsulfinyl)phenyl]propyl]-methyl-amine Formula: C12H20N2O2S2 MolecularWeight: 288.4294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC(CN)C1=C(C=CC=C1S(=O)C)S(=O)C

Isomeric SMILES

CNCC(CN)C1=C(C=CC=C1S(=O)C)S(=O)C

InChI

InChI=1S/C12H20N2O2S2/c1-14-8-9(7-13)12-10(17(2)15)5-4-6-11(12)18(3)16/h4-6,9,14H,7-8,13H2,1-3H3