7,10,13-tris-(4-methylphenyl)sulfonyl-1,4-dithia-7,10,13-triazacyclopentadecane

Systemtic Name: 7,10,13-tris-(4-methylphenyl)sulfonyl-1,4-dithia-7,10,13-triazacyclopentadecane Openeye Name: 7,10,13-tris(p-tolylsulfonyl)-1,4-dithia-7,10,13-triazacyclopentadecane CAS Name: 7,10,13-tris-(4-methylphenyl)sulfonyl-1,4-dithia-7,10,13-triazacyclopentadecane IUPAC Name: 7,10,13-tris-(4-methylphenyl)sulfonyl-1,4-dithia-7,10,13-triazacyclopentadecane Traditional Name: 7,10,13-tritosyl-1,4-dithia-7,10,13-triazacyclopentadecane Formula: C31H41N3O6S5 MolecularWeight: 711.99874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCSCCN(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)N2CCN(CCSCCSCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H41N3O6S5/c1-26-4-10-29(11-5-26)43(35,36)32-16-18-33(44(37,38)30-12-6-27(2)7-13-30)20-22-41-24-25-42-23-21-34(19-17-32)45(39,40)31-14-8-28(3)9-15-31/h4-15H,16-25H2,1-3H3