2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H22N4O5S/c26-19(14-25-21(28)18-10-3-2-9-17(18)20(27)23-25)22-15-7-6-8-16(13-15)31(29,30)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,26)(H,23,27)