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

Systemtic Name: 13,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane Openeye Name: 13,16-bis(p-tolylsulfonyl)-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane CAS Name: 13,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacycloheneicosane IUPAC Name: 13,16-bis-(4-methylphenyl)sulfonyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane Traditional Name: 13,16-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)N2CCNCCOCCOCCOCCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCOCCOCCOCCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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