4,10,16-tris-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane

Systemtic Name: 4,10,16-tris-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane Openeye Name: 4,10,16-tris(p-tolylsulfonyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane CAS Name: 4,10,16-tris-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane IUPAC Name: 4,10,16-tris-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane Traditional Name: 4,10,16-tritosyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane Formula: C33H45N3O9S3 MolecularWeight: 723.9201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCN(CCOCCN(CCOCC2)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)N2CCOCCN(CCOCCN(CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H45N3O9S3/c1-28-4-10-31(11-5-28)46(37,38)34-16-22-43-24-18-35(47(39,40)32-12-6-29(2)7-13-32)20-26-45-27-21-36(19-25-44-23-17-34)48(41,42)33-14-8-30(3)9-15-33/h4-15H,16-27H2,1-3H3