(3E)-1,6,11-tris-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadec-3-en-8,13-diyne

Systemtic Name: (3E)-1,6,11-tris-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadec-3-en-8,13-diyne Openeye Name: (3E)-1,6,11-tris(p-tolylsulfonyl)-1,6,11-triazacyclopentadec-3-en-8,13-diyne CAS Name: (3E)-1,6,11-tris-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadec-3-en-8,13-diyne IUPAC Name: (3E)-1,6,11-tris-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadec-3-en-8,13-diyne Traditional Name: (3E)-1,6,11-tritosyl-1,6,11-triazacyclopentadec-3-en-8,13-diyne Formula: C33H35N3O6S3 MolecularWeight: 665.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(CC#CCN(CC#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)N2C/C=C/CN(CC#CCN(CC#CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H35N3O6S3/c1-28-10-16-31(17-11-28)43(37,38)34-22-4-6-24-35(44(39,40)32-18-12-29(2)13-19-32)26-8-9-27-36(25-7-5-23-34)45(41,42)33-20-14-30(3)15-21-33/h4,6,10-21H,22-27H2,1-3H3/b6-4+