N-methyl-N-[4-[1,1,1-tris(fluoranyl)-6-methyl-2-oxidanyl-hept-3-yn-2-yl]phenyl]benzenesulfonamide

Systemtic Name: N-methyl-N-[4-[1,1,1-tris(fluoranyl)-6-methyl-2-oxidanyl-hept-3-yn-2-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-[1-hydroxy-5-methyl-1-(trifluoromethyl)hex-2-ynyl]phenyl]-N-methyl-benzenesulfonamide CAS Name: N-methyl-N-[4-(1,1,1-trifluoro-2-hydroxy-6-methylhept-3-yn-2-yl)phenyl]benzenesulfonamide IUPAC Name: N-methyl-N-[4-(1,1,1-trifluoro-2-hydroxy-6-methylhept-3-yn-2-yl)phenyl]benzenesulfonamide Traditional Name: N-[4-[1-hydroxy-5-methyl-1-(trifluoromethyl)hex-2-ynyl]phenyl]-N-methyl-benzenesulfonamide Formula: C21H22F3NO3S MolecularWeight: 425.46449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC#CC(C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CC(C)CC#CC(C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C21H22F3NO3S/c1-16(2)8-7-15-20(26,21(22,23)24)17-11-13-18(14-12-17)25(3)29(27,28)19-9-5-4-6-10-19/h4-6,9-14,16,26H,8H2,1-3H3