3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propane-1,2-diol

Systemtic Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propane-1,2-diol Openeye Name: 3-[4,7-bis(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]propane-1,2-diol CAS Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propane-1,2-diol IUPAC Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propane-1,2-diol Traditional Name: 3-(4,7-ditosyl-1,4,7-triazonan-1-yl)propane-1,2-diol Formula: C23H33N3O6S2 MolecularWeight: 511.65462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC(CO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC(CO)O

InChI

InChI=1S/C23H33N3O6S2/c1-19-3-7-22(8-4-19)33(29,30)25-13-11-24(17-21(28)18-27)12-14-26(16-15-25)34(31,32)23-9-5-20(2)6-10-23/h3-10,21,27-28H,11-18H2,1-2H3