4-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[3-(1-piperidylsulfonyl)phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-(1-piperidinylsulfonyl)phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(3-piperidinosulfonylphenyl)-3H-phthalazine-1-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H20N4O4S/c25-19-17-10-3-2-9-16(17)18(22-23-19)20(26)21-14-7-6-8-15(13-14)29(27,28)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,26)(H,23,25)