4,11,18-tris-(4-methylphenyl)sulfonyl-2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacyclohenicosane

Systemtic Name: 4,11,18-tris-(4-methylphenyl)sulfonyl-2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacyclohenicosane Openeye Name: 2-(allyloxymethyl)-4,11,18-tris(p-tolylsulfonyl)-1-oxa-4,11,18-triazacyclohenicosane CAS Name: 4,11,18-tris-(4-methylphenyl)sulfonyl-2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacycloheneicosane IUPAC Name: 4,11,18-tris-(4-methylphenyl)sulfonyl-2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacyclohenicosane Traditional Name: 2-(allyloxymethyl)-4,11,18-tritosyl-1-oxa-4,11,18-triazacycloheneicosane Formula: C42H61N3O8S3 MolecularWeight: 832.14404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCN(CCCOC(CN(CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C)COCC=C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCN(CCCOC(CN(CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C)COCC=C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C42H61N3O8S3/c1-5-32-52-35-39-34-45(56(50,51)42-25-19-38(4)20-26-42)30-13-9-8-11-28-43(54(46,47)40-21-15-36(2)16-22-40)27-10-6-7-12-29-44(31-14-33-53-39)55(48,49)41-23-17-37(3)18-24-41/h5,15-26,39H,1,6-14,27-35H2,2-4H3