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

Systemtic Name: N-(4-methylphenyl)sulfonyl-N-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)butanamide Openeye Name: N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)-N-(p-tolylsulfonyl)butanamide CAS Name: N-(4-methylphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)butanamide IUPAC Name: N-(4-methylphenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)butanamide Traditional Name: N-(2-ketobenzo[g][1,3]benzoxathiol-5-yl)-N-tosyl-butyramide Formula: C22H19NO5S2 MolecularWeight: 441.51996

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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=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5S2/c1-3-6-20(24)23(30(26,27)15-11-9-14(2)10-12-15)18-13-19-21(28-22(25)29-19)17-8-5-4-7-16(17)18/h4-5,7-13H,3,6H2,1-2H3