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

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)sulfonyl-N-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)pentanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)pentanamide CAS Name: N-(4-fluoro-2-methylphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)pentanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)pentanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)sulfonyl-N-(2-ketobenzo[g][1,3]benzoxathiol-5-yl)valeramide Formula: C23H20FNO5S2 MolecularWeight: 473.537003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=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

CCCCC(=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/C23H20FNO5S2/c1-3-4-9-21(26)25(32(28,29)20-11-10-15(24)12-14(20)2)18-13-19-22(30-23(27)31-19)17-8-6-5-7-16(17)18/h5-8,10-13H,3-4,9H2,1-2H3