3-methyl-N'-(3-morpholin-4-ylsulfonylphenyl)carbonyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: 3-methyl-N'-(3-morpholin-4-ylsulfonylphenyl)carbonyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: 3-methyl-N'-(3-morpholinosulfonylbenzoyl)-4-oxo-phthalazine-1-carbohydrazide CAS Name: 3-methyl-N'-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: 3-methyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide Traditional Name: 4-keto-3-methyl-N'-(3-morpholinosulfonylbenzoyl)phthalazine-1-carbohydrazide Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N5O6S/c1-25-21(29)17-8-3-2-7-16(17)18(24-25)20(28)23-22-19(27)14-5-4-6-15(13-14)33(30,31)26-9-11-32-12-10-26/h2-8,13H,9-12H2,1H3,(H,22,27)(H,23,28)