5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide CAS Name: 5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-N,2-dimethylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N,2-dimethylbenzenesulfonamide Traditional Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NC

InChI

InChI=1S/C23H20N4O4S/c1-14-7-8-15(11-21(14)32(28,29)24-2)22-17-5-3-4-6-18(17)23(27-26-22)25-16-9-10-19-20(12-16)31-13-30-19/h3-12,24H,13H2,1-2H3,(H,25,27)