1,4-bis-(4-methylphenyl)sulfonyl-7-methylsulfonyl-1,4,7-triazonane

Systemtic Name: 1,4-bis-(4-methylphenyl)sulfonyl-7-methylsulfonyl-1,4,7-triazonane Openeye Name: 1-methylsulfonyl-4,7-bis(p-tolylsulfonyl)-1,4,7-triazonane CAS Name: 1,4-bis-(4-methylphenyl)sulfonyl-7-methylsulfonyl-1,4,7-triazonane IUPAC Name: 1,4-bis-(4-methylphenyl)sulfonyl-7-methylsulfonyl-1,4,7-triazonane Traditional Name: 1-mesyl-4,7-ditosyl-1,4,7-triazonane Formula: C21H29N3O6S3 MolecularWeight: 515.66646

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S3/c1-18-4-8-20(9-5-18)32(27,28)23-14-12-22(31(3,25)26)13-15-24(17-16-23)33(29,30)21-10-6-19(2)7-11-21/h4-11H,12-17H2,1-3H3