1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane

Systemtic Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane Openeye Name: 1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazonane CAS Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane IUPAC Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane Traditional Name: 1,4,7-tritosyl-1,4,7-triazonane Formula: C27H33N3O6S3 MolecularWeight: 591.76242

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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)C4=CC=C(C=C4)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)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H33N3O6S3/c1-22-4-10-25(11-5-22)37(31,32)28-16-18-29(38(33,34)26-12-6-23(2)7-13-26)20-21-30(19-17-28)39(35,36)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3