3-methyl-4-oxidanylidene-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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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)NC4=[NH+]CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=[NH+]CCCCC4

InChI

InChI=1S/C22H23N5O4S/c1-27-22(29)18-8-5-4-7-17(18)20(25-27)21(28)24-15-10-12-16(13-11-15)32(30,31)26-19-9-3-2-6-14-23-19/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3,(H,23,26)(H,24,28)/p+1