N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-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)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

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