N-[4-cyano-3-(phenylsulfonyl)phenyl]-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide

Systemtic Name: N-[4-cyano-3-(phenylsulfonyl)phenyl]-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide Openeye Name: N-[3-(benzenesulfonyl)-4-cyano-phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamide CAS Name: N-[3-(benzenesulfonyl)-4-cyanophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide IUPAC Name: N-[3-(benzenesulfonyl)-4-cyanophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Traditional Name: N-(3-besyl-4-cyano-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propionamide Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)S(=O)(=O)C2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)S(=O)(=O)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C17H13F3N2O4S/c1-16(24,17(18,19)20)15(23)22-12-8-7-11(10-21)14(9-12)27(25,26)13-5-3-2-4-6-13/h2-9,24H,1H3,(H,22,23)