1-cyclopentylsulfonyl-6-(4-ethenylphenyl)sulfonyl-11-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadeca-3,8,13-triyne

Systemtic Name: 1-cyclopentylsulfonyl-6-(4-ethenylphenyl)sulfonyl-11-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadeca-3,8,13-triyne Openeye Name: 1-cyclopentylsulfonyl-6-(p-tolylsulfonyl)-11-(4-vinylphenyl)sulfonyl-1,6,11-triazacyclopentadeca-3,8,13-triyne CAS Name: 1-cyclopentylsulfonyl-6-(4-ethenylphenyl)sulfonyl-11-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadeca-3,8,13-triyne IUPAC Name: 1-cyclopentylsulfonyl-6-(4-ethenylphenyl)sulfonyl-11-(4-methylphenyl)sulfonyl-1,6,11-triazacyclopentadeca-3,8,13-triyne Traditional Name: 1-cyclopentylsulfonyl-6-tosyl-11-(4-vinylphenyl)sulfonyl-1,6,11-triazacyclopentadeca-3,8,13-triyne Formula: C32H30N3O6S3 MolecularWeight: 648.7921

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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)[C]3[CH][CH][CH][CH]3)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC#CCN(CC#CCN(CC#CC2)S(=O)(=O)[C]3[CH][CH][CH][CH]3)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

InChI=1S/C32H30N3O6S3/c1-3-29-16-20-32(21-17-29)44(40,41)35-26-9-7-23-33(42(36,37)30-12-4-5-13-30)22-6-8-24-34(25-10-11-27-35)43(38,39)31-18-14-28(2)15-19-31/h3-5,12-21H,1,22-27H2,2H3