3-butyl-N-[(E)-1-[4-(methylsulfamoyl)phenyl]ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(E)-1-[4-(methylsulfamoyl)phenyl]ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-1-[4-(methylsulfamoyl)phenyl]ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-1-[4-(methylsulfamoyl)phenyl]ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-1-[4-(methylsulfamoyl)phenyl]ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-1-[4-(methylsulfamoyl)phenyl]ethylideneamino]phthalazine-1-carboxamide Formula: C22H25N5O4S MolecularWeight: 455.53

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(C=C3)S(=O)(=O)NC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC=C(C=C3)S(=O)(=O)NC

InChI

InChI=1S/C22H25N5O4S/c1-4-5-14-27-22(29)19-9-7-6-8-18(19)20(26-27)21(28)25-24-15(2)16-10-12-17(13-11-16)32(30,31)23-3/h6-13,23H,4-5,14H2,1-3H3,(H,25,28)/b24-15+