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

Systemtic Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-1-amine Openeye Name: 3-[4,7-bis(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]propan-1-amine CAS Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-1-propanamine IUPAC Name: 3-[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]propan-1-amine Traditional Name: 3-(4,7-ditosyl-1,4,7-triazonan-1-yl)propylamine Formula: C23H34N4O4S2 MolecularWeight: 494.67046

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O4S2/c1-20-4-8-22(9-5-20)32(28,29)26-16-14-25(13-3-12-24)15-17-27(19-18-26)33(30,31)23-10-6-21(2)7-11-23/h4-11H,3,12-19,24H2,1-2H3