5-[4-(2-diethylaminoethylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[4-(2-diethylaminoethylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(2-diethylaminoethylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: 5-[4-(2-diethylaminoethylamino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(2-diethylaminoethylamino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-(2-diethylaminoethylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C21H27N5O2S MolecularWeight: 413.53638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)C)S(=O)(=O)N

Isomeric SMILES

CCN(CC)CCNC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)C)S(=O)(=O)N

InChI

InChI=1S/C21H27N5O2S/c1-4-26(5-2)13-12-23-21-18-9-7-6-8-17(18)20(24-25-21)16-11-10-15(3)19(14-16)29(22,27)28/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25)(H2,22,27,28)