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1,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclotetradecane

1,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclotetradecane

Systemtic Name:1,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclotetradecane
Openeye Name:1,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclotetradecane
CAS Name:1,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclotetradecane
IUPAC Name:1,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclotetradecane
Traditional Name:1,9-ditosyl-1,5,9-triazacyclotetradecane
Formula: C25H37N3O4S2
MolecularWeight: 507.70898
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCN(CCCNCCC2)S(=O)(=O)C3=CC=C(C=C3)C


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCN(CCCNCCC2)S(=O)(=O)C3=CC=C(C=C3)C


InChI

InChI=1S/C25H37N3O4S2/c1-22-8-12-24(13-9-22)33(29,30)27-18-4-3-5-19-28(21-7-17-26-16-6-20-27)34(31,32)25-14-10-23(2)11-15-25/h8-15,26H,3-7,16-21H2,1-2H3


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