4-oxidanylidene-3-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]phthalazine-1-carboxamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S/c22-20(28)19-16-8-1-2-9-17(16)21(29)26(24-19)13-18(27)23-14-6-5-7-15(12-14)32(30,31)25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,13H2,(H2,22,28)(H,23,27)