N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]ethyl]-4-fluoranyl-N-methyl-benzenesulfonamide

Systemtic Name: N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]ethyl]-4-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]ethyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-4-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]ethyl]-4-fluoro-N-methyl-benzenesulfonamide Formula: C27H35FN2O3S MolecularWeight: 486.641803

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCCN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCCN(C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C27H35FN2O3S/c1-6-30(18-9-7-8-17-27(2,3)4)22-23-11-10-12-25(21-23)33-20-19-29(5)34(31,32)26-15-13-24(28)14-16-26/h7,9-16,21H,6,18-20,22H2,1-5H3/b9-7+