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

Systemtic Name: 5-[4-[(4-chlorophenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(4-chloroanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: 5-[4-(4-chloroanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(4-chloroanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-(4-chloroanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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=CC=C(C=C4)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl)S(=O)(=O)N

InChI

InChI=1S/C21H17ClN4O2S/c1-13-6-7-14(12-19(13)29(23,27)28)20-17-4-2-3-5-18(17)21(26-25-20)24-16-10-8-15(22)9-11-16/h2-12H,1H3,(H,24,26)(H2,23,27,28)