2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)benzenesulfonamide

Systemtic Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: 2-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: 5-(4-keto-3H-phthalazin-1-yl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O4S/c1-15-6-7-16(20-17-4-2-3-5-18(17)21(26)24-23-20)14-19(15)30(27,28)22-8-9-25-10-12-29-13-11-25/h2-7,14,22H,8-13H2,1H3,(H,24,26)/p+1