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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methyl-benzenesulfonamide CAS Name: 5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-N-tert-butyl-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide Traditional Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-N-tert-butyl-2-methyl-benzenesulfonamide Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

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)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)C

InChI

InChI=1S/C26H26N4O4S/c1-16-9-10-17(13-23(16)35(31,32)30-26(2,3)4)24-19-7-5-6-8-20(19)25(29-28-24)27-18-11-12-21-22(14-18)34-15-33-21/h5-14,30H,15H2,1-4H3,(H,27,29)