N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-3-sulfonyl-propanamide; fluoranylbenzene

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-3-sulfonyl-propanamide; fluoranylbenzene Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-sulfonyl-propanamide; fluorobenzene CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-sulfonylpropanamide; fluorobenzene IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-sulfonylpropanamide; fluorobenzene Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-sulfonyl-propionamide; fluorobenzene Formula: C18H14F4N2O4S MolecularWeight: 430.373373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O4S.C6H5F/c1-11(19,6-22(20)21)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15;7-6-4-2-1-3-5-6/h2-4,6,19H,1H3,(H,17,18);1-5H