1,1,1-tris(fluoranyl)-2-methyl-4-(4-pyridin-4-ylsulfonylphenyl)but-3-yn-2-ol

Systemtic Name: 1,1,1-tris(fluoranyl)-2-methyl-4-(4-pyridin-4-ylsulfonylphenyl)but-3-yn-2-ol Openeye Name: 1,1,1-trifluoro-2-methyl-4-[4-(4-pyridylsulfonyl)phenyl]but-3-yn-2-ol CAS Name: 1,1,1-trifluoro-2-methyl-4-(4-pyridin-4-ylsulfonylphenyl)-3-butyn-2-ol IUPAC Name: 1,1,1-trifluoro-2-methyl-4-(4-pyridin-4-ylsulfonylphenyl)but-3-yn-2-ol Traditional Name: 1,1,1-trifluoro-2-methyl-4-[4-(4-pyridylsulfonyl)phenyl]but-3-yn-2-ol Formula: C16H12F3NO3S MolecularWeight: 355.33159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3NO3S/c1-15(21,16(17,18)19)9-6-12-2-4-13(5-3-12)24(22,23)14-7-10-20-11-8-14/h2-5,7-8,10-11,21H,1H3