N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-3H-phthalazine-1-carboxamide Formula: C19H18N5O4S+ MolecularWeight: 412.44232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H17N5O4S/c25-18-15-8-2-1-7-14(15)17(22-23-18)19(26)21-12-5-3-6-13(11-12)29(27,28)24-16-9-4-10-20-16/h1-3,5-8,11H,4,9-10H2,(H,20,24)(H,21,26)(H,23,25)/p+1