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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C22H23N5O4S/c1-2-13-27-22(29)18-10-4-3-9-17(18)20(25-27)21(28)24-15-7-5-8-16(14-15)32(30,31)26-19-11-6-12-23-19/h3-5,7-10,14H,2,6,11-13H2,1H3,(H,23,26)(H,24,28)/p+1