methylsulfonylbenzene; 3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-N-phenyl-propanamide

Systemtic Name: methylsulfonylbenzene; 3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-N-phenyl-propanamide Openeye Name: methylsulfonylbenzene; 3,3,3-trifluoro-2-hydroxy-2-methyl-N-phenyl-propanamide CAS Name: methylsulfonylbenzene; 3,3,3-trifluoro-2-hydroxy-2-methyl-N-phenylpropanamide IUPAC Name: methylsulfonylbenzene; 3,3,3-trifluoro-2-hydroxy-2-methyl-N-phenylpropanamide Traditional Name: mesylbenzene; 3,3,3-trifluoro-2-hydroxy-2-methyl-N-phenyl-propionamide Formula: C17H18F3NO4S MolecularWeight: 389.38933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)(C(F)(F)F)O.CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)(C(F)(F)F)O.CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H10F3NO2.C7H8O2S/c1-9(16,10(11,12)13)8(15)14-7-5-3-2-4-6-7;1-10(8,9)7-5-3-2-4-6-7/h2-6,16H,1H3,(H,14,15);2-6H,1H3