1,3,5-tris-(4-methylphenyl)sulfonyl-1,3,5-triazocan-7-ol

Systemtic Name: 1,3,5-tris-(4-methylphenyl)sulfonyl-1,3,5-triazocan-7-ol Openeye Name: 1,3,5-tris(p-tolylsulfonyl)-1,3,5-triazocan-7-ol CAS Name: 1,3,5-tris-(4-methylphenyl)sulfonyl-1,3,5-triazocan-7-ol IUPAC Name: 1,3,5-tris-(4-methylphenyl)sulfonyl-1,3,5-triazocan-7-ol Traditional Name: 1,3,5-tritosyl-1,3,5-triazocan-7-ol Formula: C26H31N3O7S3 MolecularWeight: 593.73524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C26H31N3O7S3/c1-20-4-10-24(11-5-20)37(31,32)27-16-23(30)17-28(38(33,34)25-12-6-21(2)7-13-25)19-29(18-27)39(35,36)26-14-8-22(3)9-15-26/h4-15,23,30H,16-19H2,1-3H3