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

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O5S/c1-31-20-10-9-15(32(29,30)26-11-5-2-6-12-26)13-19(20)23-21(27)14-18-16-7-3-4-8-17(16)22(28)25-24-18/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)(H,25,28)