3-butyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[2-(methylsulfamoylmethyl)benzyl]phthalazine-1-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CS(=O)(=O)NC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CS(=O)(=O)NC

InChI

InChI=1S/C22H26N4O4S/c1-3-4-13-26-22(28)19-12-8-7-11-18(19)20(25-26)21(27)24-14-16-9-5-6-10-17(16)15-31(29,30)23-2/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,27)