N-(4-fluoranyl-2-methyl-phenyl)sulfonyl-N-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)butanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)sulfonyl-N-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)butanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)butanamide CAS Name: N-(4-fluoro-2-methylphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)butanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)butanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)sulfonyl-N-(2-ketobenzo[g][1,3]benzoxathiol-5-yl)butyramide Formula: C22H18FNO5S2 MolecularWeight: 459.510423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C3=CC=CC=C31)OC(=O)S2)S(=O)(=O)C4=C(C=C(C=C4)F)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C3=CC=CC=C31)OC(=O)S2)S(=O)(=O)C4=C(C=C(C=C4)F)C

InChI

InChI=1S/C22H18FNO5S2/c1-3-6-20(25)24(31(27,28)19-10-9-14(23)11-13(19)2)17-12-18-21(29-22(26)30-18)16-8-5-4-7-15(16)17/h4-5,7-12H,3,6H2,1-2H3