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

Systemtic Name: 3-methyl-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[4-[3-(4-morpholin-4-iumyl)propylsulfamoyl]phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]phthalazine-1-carboxamide Formula: C23H28N5O5S+ MolecularWeight: 486.56392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H27N5O5S/c1-27-23(30)20-6-3-2-5-19(20)21(26-27)22(29)25-17-7-9-18(10-8-17)34(31,32)24-11-4-12-28-13-15-33-16-14-28/h2-3,5-10,24H,4,11-16H2,1H3,(H,25,29)/p+1