3-[2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]ethyl]phthalazin-1-olate Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H19N5O5S/c26-18(12-25-20(28)16-8-2-1-7-15(16)19(27)23-25)22-13-5-3-6-14(11-13)31(29,30)24-17-9-4-10-21-17/h1-3,5-8,11H,4,9-10,12H2,(H,21,24)(H,22,26)(H,23,27)