1-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-2-ol

Systemtic Name: 1-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-2-ol Openeye Name: 1-[4,7-bis(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]propan-2-ol CAS Name: 1-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-2-propanol IUPAC Name: 1-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-2-ol Traditional Name: 1-(4,7-ditosyl-1,4,7-triazonan-1-yl)propan-2-ol Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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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(C)O

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5S2/c1-19-4-8-22(9-5-19)32(28,29)25-14-12-24(18-21(3)27)13-15-26(17-16-25)33(30,31)23-10-6-20(2)7-11-23/h4-11,21,27H,12-18H2,1-3H3