2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O4S/c26-20(14-19-17-9-2-3-10-18(17)21(27)24-23-19)22-15-7-6-8-16(13-15)30(28,29)25-11-4-1-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,26)(H,24,27)