N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-phenyl]carbonyl-4-oxidanylidene-3H-phthalazine-1-carbohydrazide

Systemtic Name: N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-phenyl]carbonyl-4-oxidanylidene-3H-phthalazine-1-carbohydrazide Openeye Name: N'-[4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoyl]-4-oxo-3H-phthalazine-1-carbohydrazide CAS Name: N'-[[4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]-4-oxo-3H-phthalazine-1-carbohydrazide IUPAC Name: N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]-4-oxo-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoyl]-3H-phthalazine-1-carbohydrazide Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C23H25N5O6S/c1-14-7-5-6-12-28(14)35(32,33)19-13-15(10-11-18(19)34-2)21(29)25-27-23(31)20-16-8-3-4-9-17(16)22(30)26-24-20/h3-4,8-11,13-14H,5-7,12H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/t14-/m0/s1