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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Formula: C25H22N5O4S+ MolecularWeight: 488.53828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O4S/c31-24(27-17-8-6-11-19(16-17)35(33,34)29-22-14-7-15-26-22)23-20-12-4-5-13-21(20)25(32)30(28-23)18-9-2-1-3-10-18/h1-6,8-13,16H,7,14-15H2,(H,26,29)(H,27,31)/p+1