7-(N-aminocarbonyl-S-methyl-sulfonimidoyl)-5-hexyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-(N-aminocarbonyl-S-methyl-sulfonimidoyl)-5-hexyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(N-carbamoyl-S-methyl-sulfonimidoyl)-5-hexyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(N-carbamoyl-S-methylsulfonimidoyl)-5-hexyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(N-carbamoyl-S-methylsulfonimidoyl)-5-hexyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(N-carbamoyl-S-methyl-sulfonimidoyl)-5-hexyl-9-keto-xanthene-2-carboxylic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC(=C1)S(=NC(=O)N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=C2C(=CC(=C1)S(=NC(=O)N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C22H24N2O6S/c1-3-4-5-6-7-13-10-15(31(2,29)24-22(23)28)12-17-19(25)16-11-14(21(26)27)8-9-18(16)30-20(13)17/h8-12H,3-7H2,1-2H3,(H2,23,28)(H,26,27)