4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane

Systemtic Name: 4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane Openeye Name: 4,12-bis(p-tolylsulfonyl)-1-oxa-4,8,12-triazacyclotetradecane CAS Name: 4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane IUPAC Name: 4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane Traditional Name: 4,12-ditosyl-1-oxa-4,8,12-triazacyclotetradecane Formula: C24H35N3O5S2 MolecularWeight: 509.6818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H35N3O5S2/c1-21-5-9-23(10-6-21)33(28,29)26-15-3-13-25-14-4-16-27(18-20-32-19-17-26)34(30,31)24-11-7-22(2)8-12-24/h5-12,25H,3-4,13-20H2,1-2H3