N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3)C

InChI

InChI=1S/C23H26N4O4S/c1-16-11-17(2)14-26(13-16)32(30,31)20-9-7-19(8-10-20)25-22(28)15-27-23(29)21-6-4-3-5-18(21)12-24-27/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,25,28)