2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[1-keto-4-(2-thienyl)phthalazin-2-yl]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C24H22N4O4S2/c29-22(25-17-9-11-18(12-10-17)34(31,32)27-13-3-4-14-27)16-28-24(30)20-7-2-1-6-19(20)23(26-28)21-8-5-15-33-21/h1-2,5-12,15H,3-4,13-14,16H2,(H,25,29)