1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13,17-pentazacycloicosane

Systemtic Name: 1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13,17-pentazacycloicosane Openeye Name: 1,5,9,13-tetrakis(p-tolylsulfonyl)-1,5,9,13,17-pentazacycloicosane CAS Name: 1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13,17-pentazacycloeicosane IUPAC Name: 1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13,17-pentazacycloicosane Traditional Name: 1,5,9,13-tetratosyl-1,5,9,13,17-pentazacycloeicosane Formula: C43H59N5O8S4 MolecularWeight: 902.21726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CCCN(CCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CCCN(CCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C43H59N5O8S4/c1-36-10-18-40(19-11-36)57(49,50)45-28-5-26-44-27-6-29-46(58(51,52)41-20-12-37(2)13-21-41)31-8-33-48(60(55,56)43-24-16-39(4)17-25-43)35-9-34-47(32-7-30-45)59(53,54)42-22-14-38(3)15-23-42/h10-25,44H,5-9,26-35H2,1-4H3