tert-butyl 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propanoate

Systemtic Name: tert-butyl 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propanoate Openeye Name: tert-butyl 3-[4,7-bis(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]propanoate CAS Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propanoate Traditional Name: 3-(4,7-ditosyl-1,4,7-triazonan-1-yl)propionic acid tert-butyl ester Formula: C27H39N3O6S2 MolecularWeight: 565.74506

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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)CCC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O6S2/c1-22-6-10-24(11-7-22)37(32,33)29-18-16-28(15-14-26(31)36-27(3,4)5)17-19-30(21-20-29)38(34,35)25-12-8-23(2)9-13-25/h6-13H,14-21H2,1-5H3