1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane

Systemtic Name: 1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane Openeye Name: 1,7-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclotetradecane CAS Name: 1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane IUPAC Name: 1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane Traditional Name: 1,7-ditosyl-1,4,7,10-tetrazacyclotetradecane Formula: C24H36N4O4S2 MolecularWeight: 508.69704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H36N4O4S2/c1-21-5-9-23(10-6-21)33(29,30)27-17-4-3-13-25-14-19-28(20-16-26-15-18-27)34(31,32)24-11-7-22(2)8-12-24/h5-12,25-26H,3-4,13-20H2,1-2H3