N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: 2-(1-ketophthalazin-2-yl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H24N4O4S/c1-16-9-10-18(31(29,30)25-11-5-2-6-12-25)13-20(16)24-21(27)15-26-22(28)19-8-4-3-7-17(19)14-23-26/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,24,27)