3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-1-ol

Systemtic Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-1-ol Openeye Name: 3-[4,7-bis(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]propan-1-ol CAS Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-1-propanol IUPAC Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-1-ol Traditional Name: 3-(4,7-ditosyl-1,4,7-triazonan-1-yl)propan-1-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)CCCO

Isomeric SMILES

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

InChI

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