N-(2,5-dimethylphenyl)sulfonyl-N-(2-oxidanylidene-1,3-benzoxathiol-5-yl)pentanamide

Systemtic Name: N-(2,5-dimethylphenyl)sulfonyl-N-(2-oxidanylidene-1,3-benzoxathiol-5-yl)pentanamide Openeye Name: N-(2,5-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pentanamide CAS Name: N-(2,5-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pentanamide IUPAC Name: N-(2,5-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pentanamide Traditional Name: N-(2,5-dimethylphenyl)sulfonyl-N-(2-keto-1,3-benzoxathiol-5-yl)valeramide Formula: C20H21NO5S2 MolecularWeight: 419.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCC(=O)N(C1=CC2=C(C=C1)OC(=O)S2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H21NO5S2/c1-4-5-6-19(22)21(15-9-10-16-17(12-15)27-20(23)26-16)28(24,25)18-11-13(2)7-8-14(18)3/h7-12H,4-6H2,1-3H3