(3-pentadeca-1,3,5,7,9,11,13-heptaynylphenyl) 4-piperidin-1-ylbenzenesulfonate

Systemtic Name: (3-pentadeca-1,3,5,7,9,11,13-heptaynylphenyl) 4-piperidin-1-ylbenzenesulfonate Openeye Name: (3-pentadeca-1,3,5,7,9,11,13-heptaynylphenyl) 4-(1-piperidyl)benzenesulfonate CAS Name: 4-(1-piperidinyl)benzenesulfonic acid (3-pentadeca-1,3,5,7,9,11,13-heptaynylphenyl) ester IUPAC Name: (3-pentadeca-1,3,5,7,9,11,13-heptaynylphenyl) 4-piperidin-1-ylbenzenesulfonate Traditional Name: 4-piperidinobenzenesulfonic acid (3-pentadeca-1,3,5,7,9,11,13-heptaynylphenyl) ester Formula: C32H21NO3S MolecularWeight: 499.57904

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC#CC#CC#CC#CC#CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CC#CC#CC#CC#CC#CC#CC#CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C32H21NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-29-20-18-21-31(28-29)36-37(34,35)32-24-22-30(23-25-32)33-26-16-14-17-27-33/h18,20-25,28H,14,16-17,26-27H2,1H3