methyl 7-[S-methyl-N-(2-piperidin-1-ylethanoyl)sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 7-[S-methyl-N-(2-piperidin-1-ylethanoyl)sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 7-[S-methyl-N-[2-(1-piperidyl)acetyl]sulfonimidoyl]-9-oxo-xanthene-2-carboxylate CAS Name: 7-[S-methyl-N-[1-oxo-2-(1-piperidinyl)ethyl]sulfonimidoyl]-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 7-[S-methyl-N-(2-piperidin-1-ylacetyl)sulfonimidoyl]-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-7-[S-methyl-N-(2-piperidinoacetyl)sulfonimidoyl]xanthene-2-carboxylic acid methyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)S(=NC(=O)CN4CCCCC4)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)S(=NC(=O)CN4CCCCC4)(=O)C

InChI

InChI=1S/C23H24N2O6S/c1-30-23(28)15-6-8-19-17(12-15)22(27)18-13-16(7-9-20(18)31-19)32(2,29)24-21(26)14-25-10-4-3-5-11-25/h6-9,12-13H,3-5,10-11,14H2,1-2H3