N-(3-fluoranyl-4-methyl-phenyl)-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-benzenesulfonamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C)F

InChI

InChI=1S/C22H22FN3O3S/c1-13-8-10-16(12-19(13)23)26-30(28,29)20-11-15(9-7-14(20)2)21-17-5-3-4-6-18(17)22(27)25-24-21/h7-12,26H,3-6H2,1-2H3,(H,25,27)