3-ethyl-4-oxidanylidene-N'-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 3-ethyl-4-oxidanylidene-N'-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 3-ethyl-4-oxo-N'-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]phthalazine-1-carbohydrazide CAS Name: 3-ethyl-4-oxo-N'-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]-1-phthalazinecarbohydrazide IUPAC Name: 3-ethyl-4-oxo-N'-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)phthalazine-1-carbohydrazide Traditional Name: 3-ethyl-4-keto-N'-[1-(2-thienylsulfonyl)isonipecotoyl]phthalazine-1-carbohydrazide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N5O5S2/c1-2-26-21(29)16-7-4-3-6-15(16)18(24-26)20(28)23-22-19(27)14-9-11-25(12-10-14)33(30,31)17-8-5-13-32-17/h3-8,13-14H,2,9-12H2,1H3,(H,22,27)(H,23,28)