4-oxidanylidene-N'-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-3H-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-N'-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-3H-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-N'-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]-3H-phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]-3H-phthalazine-1-carbohydrazide IUPAC Name: 4-oxo-N'-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[3-(3-ketopiperazino)sulfonylbenzoyl]-3H-phthalazine-1-carbohydrazide Formula: C20H18N6O6S MolecularWeight: 470.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H18N6O6S/c27-16-11-26(9-8-21-16)33(31,32)13-5-3-4-12(10-13)18(28)23-25-20(30)17-14-6-1-2-7-15(14)19(29)24-22-17/h1-7,10H,8-9,11H2,(H,21,27)(H,23,28)(H,24,29)(H,25,30)