1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazecan-9-ol

Systemtic Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazecan-9-ol Openeye Name: 1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazecan-9-ol CAS Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazecan-9-ol IUPAC Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazecan-9-ol Traditional Name: 1,4,7-tritosyl-1,4,7-triazecan-9-ol Formula: C28H35N3O7S3 MolecularWeight: 621.7884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H35N3O7S3/c1-22-4-10-26(11-5-22)39(33,34)29-16-18-30(40(35,36)27-12-6-23(2)7-13-27)20-25(32)21-31(19-17-29)41(37,38)28-14-8-24(3)9-15-28/h4-15,25,32H,16-21H2,1-3H3