N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[3-(4-morpholin-4-iumyl)propylsulfamoyl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-3H-phthalazine-1-carboxamide Formula: C22H26N5O5S+ MolecularWeight: 472.53734

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N5O5S/c28-21-19-5-2-1-4-18(19)20(25-26-21)22(29)24-16-6-8-17(9-7-16)33(30,31)23-10-3-11-27-12-14-32-15-13-27/h1-2,4-9,23H,3,10-15H2,(H,24,29)(H,26,28)/p+1