2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H23N5O4S/c28-21(14-19-17-9-3-4-10-18(17)22(29)26-25-19)24-15-7-6-8-16(13-15)32(30,31)27-20-11-2-1-5-12-23-20/h3-4,6-10,13H,1-2,5,11-12,14H2,(H,23,27)(H,24,28)(H,26,29)/p+1