5-(methylsulfamoyl)-9-oxidanylidene-7-propyl-xanthene-2-carboxylic acid

Systemtic Name: 5-(methylsulfamoyl)-9-oxidanylidene-7-propyl-xanthene-2-carboxylic acid Openeye Name: 5-(methylsulfamoyl)-9-oxo-7-propyl-xanthene-2-carboxylic acid CAS Name: 5-(methylsulfamoyl)-9-oxo-7-propyl-2-xanthenecarboxylic acid IUPAC Name: 5-(methylsulfamoyl)-9-oxo-7-propylxanthene-2-carboxylic acid Traditional Name: 9-keto-5-(methylsulfamoyl)-7-propyl-xanthene-2-carboxylic acid Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)NC

Isomeric SMILES

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)NC

InChI

InChI=1S/C18H17NO6S/c1-3-4-10-7-13-16(20)12-9-11(18(21)22)5-6-14(12)25-17(13)15(8-10)26(23,24)19-2/h5-9,19H,3-4H2,1-2H3,(H,21,22)