4,8,11-tris-(4-methylphenyl)sulfonyl-1-thia-4,8,11-triazacyclotetradecane

Systemtic Name: 4,8,11-tris-(4-methylphenyl)sulfonyl-1-thia-4,8,11-triazacyclotetradecane Openeye Name: 4,8,11-tris(p-tolylsulfonyl)-1-thia-4,8,11-triazacyclotetradecane CAS Name: 4,8,11-tris-(4-methylphenyl)sulfonyl-1-thia-4,8,11-triazacyclotetradecane IUPAC Name: 4,8,11-tris-(4-methylphenyl)sulfonyl-1-thia-4,8,11-triazacyclotetradecane Traditional Name: 4,8,11-tritosyl-1-thia-4,8,11-triazacyclotetradecane Formula: C31H41N3O6S4 MolecularWeight: 679.93374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCSCCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCSCCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H41N3O6S4/c1-26-6-12-29(13-7-26)42(35,36)32-18-4-19-34(44(39,40)31-16-10-28(3)11-17-31)23-25-41-24-5-20-33(22-21-32)43(37,38)30-14-8-27(2)9-15-30/h6-17H,4-5,18-25H2,1-3H3