2-[2,6-bis(methylsulfonyl)phenyl]propane-1,3-diamine

Systemtic Name: 2-[2,6-bis(methylsulfonyl)phenyl]propane-1,3-diamine Openeye Name: 2-[2,6-bis(methylsulfonyl)phenyl]propane-1,3-diamine CAS Name: 2-[2,6-bis(methylsulfonyl)phenyl]propane-1,3-diamine IUPAC Name: 2-[2,6-bis(methylsulfonyl)phenyl]propane-1,3-diamine Traditional Name: [3-amino-2-(2,6-dimesylphenyl)propyl]amine Formula: C11H18N2O4S2 MolecularWeight: 306.40162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C(CN)CN

Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C(CN)CN

InChI

InChI=1S/C11H18N2O4S2/c1-18(14,15)9-4-3-5-10(19(2,16)17)11(9)8(6-12)7-13/h3-5,8H,6-7,12-13H2,1-2H3