2-(4-sulfamoylphenoxy)ethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H25N3O6S/c1-2-3-6-13-25-21(26)19-8-5-4-7-18(19)20(24-25)22(27)31-15-14-30-16-9-11-17(12-10-16)32(23,28)29/h4-5,7-12H,2-3,6,13-15H2,1H3,(H2,23,28,29)