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

Systemtic Name: 3-[3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]propyl]phthalazin-1-olate Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H21N5O5S/c27-19(10-12-26-21(29)17-8-2-1-7-16(17)20(28)24-26)23-14-5-3-6-15(13-14)32(30,31)25-18-9-4-11-22-18/h1-3,5-8,13H,4,9-12H2,(H,22,25)(H,23,27)(H,24,28)