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

Systemtic Name: 3-methyl-4-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[3-(1-piperidylsulfonyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(3-piperidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N4O4S/c1-24-21(27)18-11-4-3-10-17(18)19(23-24)20(26)22-15-8-7-9-16(14-15)30(28,29)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13H2,1H3,(H,22,26)