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

Systemtic Name: N-[(4-bromophenyl)methyl]-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: N-[(4-bromophenyl)methyl]-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: N-(4-bromobenzyl)-5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-benzenesulfonamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-14-6-9-16(21-18-4-2-3-5-19(18)22(27)26-25-21)12-20(14)30(28,29)24-13-15-7-10-17(23)11-8-15/h6-12,24H,2-5,13H2,1H3,(H,26,27)