3,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane

Systemtic Name: 3,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane Openeye Name: 3,16-bis(p-tolylsulfonyl)-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane CAS Name: 3,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacycloheneicosane IUPAC Name: 3,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane Traditional Name: 3,16-ditosyl-1,4,7-trioxa-10,13,16,19-tetrazacycloheneicosane Formula: C28H44N4O7S2 MolecularWeight: 612.80156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2COCCNCCN(CCNCCNCCOCCO2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2COCCNCCN(CCNCCNCCOCCO2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H44N4O7S2/c1-24-3-7-26(8-4-24)40(33,34)28-23-38-20-16-31-14-18-32(41(35,36)27-9-5-25(2)6-10-27)17-13-29-11-12-30-15-19-37-21-22-39-28/h3-10,28-31H,11-23H2,1-2H3