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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-benzenesulfonamide Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O3S/c1-12-6-7-13(20-15-4-2-3-5-16(15)21(27)25-24-20)10-19(12)30(28,29)26-14-8-9-18(23)17(22)11-14/h6-11,26H,2-5H2,1H3,(H,25,27)