N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-methyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-methyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: 3-methyl-N'-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-methyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-methyl-4-oxophthalazine-1-carbohydrazide Traditional Name: 4-keto-3-methyl-N'-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-phthalazine-1-carbohydrazide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H22N4O4S/c1-4-13(2)14-9-11-15(12-10-14)29(27,28)23-21-19(25)18-16-7-5-6-8-17(16)20(26)24(3)22-18/h5-13,23H,4H2,1-3H3,(H,21,25)/t13-/m0/s1