1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,4,8,11-tetrakis(p-tolylsulfonyl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,4,8,11-tetratosyl-1,4,8,11-tetrazacyclotetradecane Formula: C38H48N4O8S4 MolecularWeight: 817.06972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)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)N2CCCN(CCN(CCCN(CC2)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/C38H48N4O8S4/c1-31-7-15-35(16-8-31)51(43,44)39-23-5-24-41(53(47,48)37-19-11-33(3)12-20-37)29-30-42(54(49,50)38-21-13-34(4)14-22-38)26-6-25-40(28-27-39)52(45,46)36-17-9-32(2)10-18-36/h7-22H,5-6,23-30H2,1-4H3