N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H23N5O5S/c1-2-3-12-22-21(29)26-32(30,31)15-10-8-14(9-11-15)23-19(27)13-18-16-6-4-5-7-17(16)20(28)25-24-18/h4-11H,2-3,12-13H2,1H3,(H,23,27)(H,25,28)(H2,22,26,29)