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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Formula: C21H22N5O4S+ MolecularWeight: 440.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H21N5O4S/c1-2-26-21(28)17-10-4-3-9-16(17)19(24-26)20(27)23-14-7-5-8-15(13-14)31(29,30)25-18-11-6-12-22-18/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,22,25)(H,23,27)/p+1