N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-4-keto-3H-phthalazine-1-carboxamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4O5S/c1-2-31-18-11-10-15(14-19(18)32(29,30)26-12-6-3-7-13-26)23-22(28)20-16-8-4-5-9-17(16)21(27)25-24-20/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,28)(H,25,27)