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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-propan-2-yl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-isopropyl-2-methyl-benzenesulfonamide CAS Name: 5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-propan-2-ylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide Traditional Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-isopropyl-2-methyl-benzenesulfonamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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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(C)C

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(C)C

InChI

InChI=1S/C25H24N4O4S/c1-15(2)29-34(30,31)23-12-17(9-8-16(23)3)24-19-6-4-5-7-20(19)25(28-27-24)26-18-10-11-21-22(13-18)33-14-32-21/h4-13,15,29H,14H2,1-3H3,(H,26,28)