N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)-3H-phthalazine-1-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

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